Results for:
chemical Classification: amines

2-phenylethanamine

Mass-Spectra

Compound Details

Synonymous names
Benzeneethanamine
phenylethylamine
Phenethylamine
phenethylarnine
beta-Aminoethylbenzene
beta-Phenylaethylamin
beta-phenylethylamine
Dextroamphetamine sulfate salt
omega-Phenylethylamine
phenethylamin
b-aminoethylbenzene
beta Phenethylamine
beta-Phenethylamine
PHENETHYLAMINE, HYDROCHLORIDE
b-phenylaethylamin
b-phenylethylamine
benzylmethyl amine
BHHGXPLMPWCGHP-UHFFFAOYSA-N
Phenylethyl amine
.beta.-Phenylathylaminhydrochlorid
b-phenethylamine
N-phenethylamine
phenethyl amine
phenethyl-amine
2-Aminoethylbenzene
2-Phenylethanamine
2-phenylethaneamine
2-phenylethylamine
3-AMINOETHYLBENZENE
PHEA
2-Fenylethylamin
2-Phenethylamine
DL-BENZEDRINE SULFATE
N-Benzylmethyl-amine
PHENETHYLAMINE, BETA
.beta.-Phenylethylamine hydrochloride
14C-phenylethylamine
.beta.-Phenethylamine hydrochloride
1tnj
1utm
1uto
AC1L1AIE
D-Amphetamine sulfate salt
.beta.-Aminoethylbenzene
.beta.-Phenylaethylamin
.beta.-Phenylethylamine
.omega.-Phenylethylamine
2-Phenethylamine, analytical standard
2-phenyl ethylamine
2-phenyl-Ethanamine
2-phenyl-ethylamine
2-Phenylethanamine #
2-Phenylethyl amine
.beta.-Phenethylamine
2-Amino-fenylethan
beta-phenylaethylamin (german)
beta-Phenylaethylamin [German]
CHEMBL610
Polystyrene A-NH2
SCHEMBL968
(2-Aminoethyl)polystyrene
2-Phenethylamine, liquid
AC1Q54BB
Phenethylamine, >=99%
ACMC-1ATT1
b-phenylaethylamin (german)
C8H11N
Phenethylamine, 99%
(2-Aminoethyl)benzene
(2-phenylethyl)amine
2-(aminoethyl)benzene
2-(phenyl)ethylamine
AC1Q54D9
GTPL2144
KSC353A6F
Phenethylamine, .beta.
PubChem21080
(+)-alpha-Methylphenethylamine hemisulfate salt
1-Amino-2-phenylethane
1-Phenyl-2-aminoethane
2-Amino-1-phenylethane
2-Phenylethan-1-Amine
327C7L2BXQ
BDBM10758
CTK2F3062
HMDB12275
P0085
WLN: Z2R
2-Fenylethylamin [Czech]
ACT01135
AS00484
EBD27214
LS10634
NSC10811
RL04441
RP19436
SCHEMBL330324
(+)-A-METHYLPHENETHYLAMINE HEMISULFATE SALT
(+)-alpha-Methylphenethylamine sulfate salt
bmse000377
C05332
Ethanamine, 2-phenyl-
Ethylamine, 2-phenyl-
FEMA 3220
HMS2267J14
HSDB 3526
UNII-327C7L2BXQ
DNC012267
DTXSID5058773
LS-3025
OR033956
OR176651
OR195879
OR253104
SBB058801
STL264196
1-Phenyl-2-amino-athan
2-Amino-fenylethan [Czech]
AURORA KA-7805
CHEBI:18397
ZINC6579654
AJ-61320
AK-44044
AN-23735
ANW-34793
BR-44044
KB-47544
LABOTEST-BB LTBB000487
NSC 10811
NSC-10811
PARAGOS 510015
SC-18356
MFCD00008184
Phenethylamine, purified by redistillation, >=99.5%
RARECHEM AL BW 0047
AI3-03117
DB-002852
RTR-000856
ST24032521
ST45255355
TR-000856
TX-016680
AKOS000119084
I01-0392
Q-201553
BRN 0507488
FEMA No. 3220
MLS001066395
MLS001075768
SMR000471837
(+/-)-ALPHA-METHYLPHENETHYLAMINE SULFATE SALT
64-04-0
LABOTEST-BB LT03331710
AZ0001-0092
OTAVA-BB 1038619
Phenethyl-1,2-13C2-amine
F2190-0396
1-Phenyl-2-amino-athan (GERMAN)
1-Phenyl-2-amino-athan [German]
MCULE-5305816256
NCGC00163366-01
2-phenylethanamine (ACD/Name 4.0)
2-phenylethylamine (ACD/Name 4.0)
EINECS 200-574-4
843-EP2272972A1
843-EP2272973A1
843-EP2277872A1
843-EP2281818A1
843-EP2284157A1
843-EP2284174A1
843-EP2292619A1
843-EP2295439A1
843-EP2305260A1
843-EP2308510A1
843-EP2308562A2
843-EP2371811A2
156-28-5 (hydrochloride)
MolPort-000-871-498
12463-EP2280001A1
12463-EP2314571A2
12463-EP2316826A1
21691-EP2284174A1
21691-EP2314571A2
79541-EP2305695A2
79541-EP2305696A2
79541-EP2305697A2
79541-EP2305698A2
71750-39-5 (sulfate)
Polystyrene A-NH2, extent of labeling: 0.8-1.2 mmol/g loading
5471-08-9 (sulfate[2:1])
60BC7032-7CEC-4B97-B365-EA6E475E6E3C
InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H
Microorganism:

Yes

IUPAC name2-phenylethanamine
SMILESC1=CC=C(C=C1)CCN
InchiInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
FormulaC8H11N
PubChem ID1001
Molweight121.183
LogP1.39
Atoms20
Bonds20
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Amines nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
197.5 °CPhysProp
194.5-195 deg CO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1296
Volatilization
The Henry's Law constant for 2-phenylethylamine is estimated as 8.1X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2-phenylethylamine expected to volatilize slowly from water surfaces(2). Based on this estimated Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 50 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 365 days(SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
Sol in water; freely sol in alc, ether
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1296
Soil Adsorption
The soil/water distribution coefficient (Kd) for 2-phenylethylamine was experimentally determined to be 2.1 in a silty-clay loam soil with an organic carbon content of 1.7%(1), which corresponds to a Koc value of 120(SRC). According to a classification scheme(2), this Koc value suggests that 2-phenylethylamine is expected to have high mobility in soil. The pKa of 2-phenylethylamine is 9.83(3), indicating that this compound will primarily exist in cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts(4); however, aliphatic cations are more weakly sorbed than those associated with aromatic ring systems(1).
Literature: (1) Nicholls PH; Organic Contaminants in the Environment. Jones KC, ed. Essex, England: Elsevier Sci Publ Ltd, Chpt 3, p. 95 (1991) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Lide DR, ed; CRC Handbook of Chemistry and Physics, 81st Ed. Boca Raton, FL: CRC Press LLC, p. 8-52 (2000) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals; Boethling RS, Mackay D, eds, Boca Raton, FL: Lewis Publ (2000)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaArthrobacter Globiformisn/aSchulz and Dickschat, 2007
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi V431clinical isolateLemfack et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaArthrobacter Globiformisn/an/a
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi V431brain heart infusion mediumPorapak / GC/MSno


N,N-dimethylmethanamine

Mass-Spectra

Compound Details

Synonymous names
Dimethylaminomethylidyneradical
tridimethylaminomethane
Dimethylmethaneamine
trimethylamine
Trimethylamine anhydrous
Trimethylamine solution
trimethylamino
Trimethylamin
Trimethylamine aqueous solution
GETQZCLCWQTVFV-UHFFFAOYSA-N
N-Trimethylamine
tri-methylamine
TRIMETHYL AMINE
trimethyl-amine
Trimethylamine, anhydrous
N,N-dimethylmethanamine
KEN
AC1L1ATW
AC1Q3VWI
N,N-Dimethylmethanamine #
NMe3
Trimethylamine, in aqueous solution
N,N-dimethyl-Methanamine
N,N,N-trimethylamine
GTPL5521
KSC181G2F
Trimethylamine, anhydrous, >=99%
UN1083
UN1297
CTK0I1322
HMDB00906
HSDB 808
LHH7G8O305
Trimethylamine, 1M solution in THF
CHEMBL439723
RL04874
bmse000224
C00565
CCRIS 6283
LTBB001214
Methanamine, N,N-dimethyl-
Methylamine, N,N-dimethyl-
Trimethylamine 2.0M in THF
Trimethylamine, >=99.0%
Trimethylamine, >=99.5%
UNII-LHH7G8O305
(CH3)3N
DTXSID2026238
FEMA Number 3241
LS-1667
METHYL, (DIMETHYLAMINO)-
N(CH3)3
NSC101179
OR034134
OR255230
OR337794
OR337795
STL264242
UN 1083
UN 1297
CHEBI:18139
DSSTox_CID_6238
Trimethylamine, 45% w/w aqueous solution
ZINC8216125
AN-23859
DSSTox_GSID_26238
KB-62087
SC-46821
Trimethylamine solution, 34-36%
Trimethylamine, aqueous solutions not >50% trimethylamine, by mass
BDBM50416499
DSSTox_RID_78071
MFCD00008327
Trimethylamine solution (30% or less)
AI3-15639
NCIOpen2_007868
NSC-101179
RTR-031873
TR-031873
Trimethylamine, 33% w/w in ethanol
AKOS000119986
ZINC112948558
FEMA No. 3241
FT-0660006
75-50-3
Tox21_302355
Trimethylamine solution, 25 wt. % in propylene glycol
F1908-0091
CAS-75-50-3
4558-12-7
MCULE-7903544426
NCGC00255170-01
EINECS 200-875-0
19530-21-3
Trimethylamine solution, 25 wt. % in H2O
Trimethylamine, 45% w/w aqueous solution 500ml
593-81-7 (hydrochloride)
Trimethylamine, anhydrous [UN1083] [Flammable gas]
MolPort-000-883-876
2840-24-6 (hydrobromide)
Hydrogen undecahydrodicarbaundecaborate(1-), compd. with trimethylamine (1:1)
11062-EP2269610A2
11062-EP2269977A2
11062-EP2269989A1
11062-EP2269990A1
11062-EP2269999A1
11062-EP2270011A1
11062-EP2270014A1
11062-EP2270505A1
11062-EP2272491A1
11062-EP2272822A1
11062-EP2272832A1
11062-EP2272834A1
11062-EP2272841A1
11062-EP2275398A1
11062-EP2275411A2
11062-EP2275412A1
11062-EP2275427A1
11062-EP2277848A1
11062-EP2277867A2
11062-EP2280001A1
11062-EP2280003A2
11062-EP2280010A2
11062-EP2281817A1
11062-EP2281821A1
11062-EP2281823A2
11062-EP2284149A1
11062-EP2284160A1
11062-EP2284169A1
11062-EP2284171A1
11062-EP2287147A2
11062-EP2287152A2
11062-EP2287153A1
11062-EP2287155A1
11062-EP2287160A1
11062-EP2287161A1
11062-EP2287162A1
11062-EP2287163A1
11062-EP2289510A1
11062-EP2289891A2
11062-EP2289965A1
11062-EP2292228A1
11062-EP2292576A2
11062-EP2292597A1
11062-EP2292615A1
11062-EP2295402A2
11062-EP2295406A1
11062-EP2295409A1
11062-EP2295414A1
11062-EP2295415A1
11062-EP2295433A2
11062-EP2295437A1
11062-EP2298731A1
11062-EP2298734A2
11062-EP2298742A1
11062-EP2298750A1
11062-EP2298761A1
11062-EP2298772A1
11062-EP2298775A1
11062-EP2298779A1
11062-EP2298828A1
11062-EP2301923A1
11062-EP2301928A1
11062-EP2301929A1
11062-EP2301931A1
11062-EP2301933A1
11062-EP2301935A1
11062-EP2301936A1
11062-EP2302015A1
11062-EP2305219A1
11062-EP2305257A1
11062-EP2305625A1
11062-EP2305636A1
11062-EP2305651A1
11062-EP2305672A1
11062-EP2305673A1
11062-EP2305674A1
11062-EP2305677A1
11062-EP2305678A1
11062-EP2305679A1
11062-EP2305682A1
11062-EP2308839A1
11062-EP2308840A1
11062-EP2308851A1
11062-EP2308854A1
11062-EP2308857A1
11062-EP2308873A1
11062-EP2308875A1
11062-EP2308879A1
11062-EP2311804A2
11062-EP2311808A1
11062-EP2311811A1
11062-EP2311815A1
11062-EP2311827A1
11062-EP2311829A1
11062-EP2311831A1
11062-EP2311834A1
11062-EP2311842A2
11062-EP2314586A1
11062-EP2314590A1
11062-EP2314593A1
11062-EP2316457A1
11062-EP2316458A1
11062-EP2316825A1
11062-EP2316826A1
11062-EP2316827A1
11062-EP2316828A1
11062-EP2316831A1
11062-EP2316836A1
11062-EP2377813A1
11062-EP2380869A1
11062-EP2380870A1
11062-EP2380874A2
28042-EP2301937A1
28042-EP2314588A1
37851-EP2292227A2
37851-EP2298732A1
37851-EP2301913A1
37851-EP2301914A1
37851-EP2311796A1
37851-EP2311797A1
37851-EP2311798A1
37851-EP2311799A1
59622-EP2272846A1
59622-EP2277868A1
59622-EP2277869A1
59622-EP2277870A1
59622-EP2292608A1
59622-EP2308852A1
Trimethylamine, anhydrous [UN1083] [Flammable gas]
Trimethylamine, anhydrous, cylinder, with 316SS needle valve, 99%
148083-EP2280005A1
148083-EP2289884A1
20230-89-1 (hydriodide)
Trimethylamine solution, 25 wt. % in H2O, FG
Trimethylamine solution, 45 wt. % in H2O, FG
Trimethylamine solution, ~45 wt. % in H2O (T)
InChI=1/C3H9N/c1-4(2)3/h1-3H
Trimethylamine, aqueous solutions not >50% trimethylamine, by mass [UN1297] [Flammable liquid]
METHAN-D3-AMINE,N,N-DI(METHYL-D3)- (9CI)
Trimethylamine, aqueous solutions not >50% trimethylamine, by mass [UN1297] [Flammable liquid]
Trimethylamine solution, 31-35 wt. % in ethanol, 4.2 M, contains toluene as stabilizer
Microorganism:

Yes

IUPAC nameN,N-dimethylmethanamine
SMILESCN(C)C
InchiInChI=1S/C3H9N/c1-4(2)3/h1-3H3
Formula(CH3)3N
PubChem ID1146
Molweight59.112
LogP0.19
Atoms13
Bonds12
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAmines nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for trimethylamine is 1.0X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that trimethylamine is expected to volatilize from water surfaces(2). However, trimethylamine is a base with pKa of 9.8(3) and will exist primarily as a cation under environmental conditions (pH 5-9)(SRC). Thus, volatilization of trimethylamine from moist soil and water surfaces will not be an important fate process because cations do not volatilize(SRC). The potential for volatilization of trimethylamine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 1,610 mm Hg(4).
Literature: (1) Christie AO, Crisp DJ; J Appl Chem 17: 11-4 (1967) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Perinn DD; Dissociation Constants of Organic Bases in Aqueous Solution. IUPAC Chem Data Ser: Suppl 1972. London, England: Buttersworth (1972) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng, NY, NY: Hemisphere Pub Corp, 5 Vol (1989)
Soil Adsorption
The Koc of trimethylamine is estimated as 29(SRC), using a log Kow of 0.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that trimethylamine is expected to have very high mobility in soil(SRC). However, trimethylamine has a pKa of 9.8(4) and should exist primarily as a cation under environmental conditions (pH 5-9)(SRC). As a result, trimethylamine may have greater adsorption and less mobility than its estimated Koc value indicates since cations generally adsorb more strongly to soils containing organic carbon and clay than neutral species(5). Sorption coefficients for trimethylamine adsorption on montmorillonite, kaolinite and Flax Pond sediment (7% clay, 2.8% OM; Long Island, NY) were 15, 2 and 7 ml/g, respectively(6). The trimethylamine cation adsorbed strongest to the negatively-charged montmorillonite via electrostatic interactions(6).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 9 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17- 28 (1983) (4) Perrin DD; Dissociation Constants of Organic Bases in Aqueous Solution. IUPAC Chem Data Ser: Suppl 1972. Buttersworth, London (1972) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (6) Wang XC, Lee C; Mar Chem 44: 1-23 (1993)
Vapor Pressure
PressureReference
1610 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStaphylococcus AureusRobacker and Flath 1995
BacteriaStreptomycesinduces exploratory growthJones et al. eLife 2017;6:e21738.
FungiTilletia Cariesn/aStotzky and Schenk, 1976
FungiTilletia Controversan/aStotzky and Schenk, 1976
FungiTilletia Foetidan/aStotzky and Schenk, 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStaphylococcus Aureusno
BacteriaStreptomycesYPD agarGCxGC-TOFMSyes
FungiTilletia Cariesn/an/a
FungiTilletia Controversan/an/a
FungiTilletia Foetidan/an/a


Methanamine

Mass-Spectra

Compound Details

Synonymous names
Aminomethylidyneradical
Monomethylamine
Aminomethane
Anhydrous Methylamine
methaneamine
Methylamine anhydrous
Methylamine solutions
Methylaminen
methylammonia
methylarnine
aminomethyl
Carbinamine
Mercurialin
Methanamine
methylamin
METHYLAMINE
Methylamine aqueous solution
Methylamine solution
Metilamine
metylamine
Metyloamina
BAVYZALUXZFZLV-UHFFFAOYSA-N
mono-methylamine
monomethyl amine
Methylamine aq
Methylamine, anhydrous
N-Methylamine
methyl-amine
methylamine-
Methylamine, aqueous solution
NME
(Aminomethyl)polystyrene, macrobeads
MeNH2
AC1L1MAC
AC1Q3VRA
Methanamine (methylamine)
Methyl Of Gamma-N-Methylasparagine
mono methyl amine
mono-methyl amine
ACMC-1BEIQ
CH3NH2
JandaJel™-NH2
Methylamine, in aqueous solution
Methylamine, solution in ethanol
N-methyl amine
Polystyrene AM-NH2
3P8
AC1Q3VR9
Methylamine, 2M in tetrahydrofuran
Methylaminen [Dutch]
Metilamine [Italian]
Metyloamina [Polish]
BSF23SJ79E
CH3-NH2
KSC377M9L
CHEMBL43280
Methylamine, 2M in methanol
UN1061
UN1235
UNII-BSF23SJ79E
CTK2H7695
HMDB00164
HSDB 810
M0137
M1016
M2108
M2323
M2324
DB01828
Methylamine, anhydrous, >=98%
A23960
C00218
CCRIS 2508
LTBB001213
DTXSID7025683
LS-1634
Methylamine, >=99.0%
OR034184
OR079747
OR273862
OR336907
STL281863
UN 1061
CHEBI:16830
AN-23826
BP-11399B
DEA Code 8520
SC-46830
TRA0074535
BDBM50416492
MFCD00008104
Integrase inhibitor, R3{3}
Methylamine solution (42% or less)
RTR-037660
TR-037660
AKOS009031510
I05-0636
FT-0601768
FT-0628859
Methylamine solution, 2.0 M in methanol
Methylamine, purum, >=99.0%
Methylamine, purum, >99.5%
74-89-5
AI3-15637-X
Methylamine solution, 2.0 M in THF
Methylamine solution, 33 wt. % in absolute ethanol
MCULE-1379281060
EINECS 200-820-0
42939-70-8
85404-17-7
UN 1235 (Salt/Mix)
Methylamine solution, 40 wt. % in H2O
119775-09-6
593-51-1 (hydrochloride)
Methylamine, anhydrous [UN1061] [Flammable gas]
Methylamine, aqueous solution [UN1235] [Flammable liquid]
MolPort-000-871-955
1391413-98-1
6876-37-5 (hydrobromide)
InChI=1/CH5N/c1-2/h2H2,1H
14965-49-2 (hydriodide)
Methylamine, anhydrous [UN1061] [Flammable gas]
Methylamine, aqueous solution [UN1235] [Flammable liquid]
17000-00-9 (hydride)
22113-87-7 (nitrate)
Methylamine solution, 40 wt. % in water 250ml
33689-83-7 (sulfate[2:1])
Polystyrene AM-NH2, macrobeads, extent of labeling: 0.8-1.4 mmol/g N loading
JandaJel(TM)-NH2, 50-100 mesh, extent of labeling: 1.0 mmol/g N loading, 2 % cross-linked
JandaJel(TM)-NH2, 100-200 mesh, extent of labeling: 1.0 mmol/g N loading, 2 % cross-linked
JandaJel(TM)-NH2, 200-400 mesh, extent of labeling: 1.0 mmol/g N loading, 2 % cross-linked
Microorganism:

Yes

IUPAC namemethanamine
SMILESCN
InchiInChI=1S/CH5N/c1-2/h2H2,1H3
FormulaCH5N
PubChem ID6329
Molweight31.058
LogP-0.63
Atoms7
Bonds6
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmines nitrogen compounds

mVOC Specific Details

Volatilization
A pKa of 10.62(1) indicates methylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil surfaces is not expected to be an important fate process(2). Methylamine is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2650 mm Hg(3).
Literature: (1) Dean JA; Handbook of Organic Chemistry. NY,NY: McGraw-Hill, Inc., p. 8-38 (1987) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng., NY, NY: Hemisphere Pub Corp, Vol 1 (1995)
Soil Adsorption
No detectable sorption of methylamine was observed on a Podzol soil (4.85% organic C)(1). A Koc value of 389 was observed on Alfisol agricultural soil (1.25% organic C)(1). A Koc value of 449 was observed on a subliminic soil, a sediment of Lake Constance (1.58% organic C)(1). According to a classification scheme(2), these Koc values suggest that methylamine is expected to have moderate mobility in soil. Adsorption (desorption) partition coefficients for methylamine on montmorillonite and sediment were 7.0 (9.3) mL/g and 3.5 (5.4) mLg, respectively; at high concns, approx 20% of the methylamine absorbed onto montmorillonite was not desorbed(3). An adsorption partition coefficient of <1 was observed on kaolinite(3).
Literature: (1) von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Wang XC, Lee C; Mar Chem 1-23 (1993)
Vapor Pressure
PressureReference
2.65X10+3 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAlcaligenes FaecalisInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaArthrobacter NitroguajacoliusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaBacillus Spp.Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaLysobacter GummosusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaSporosarcina GinsengisoliInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaStenotrophomonas MaltophiliaInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaPseudoalteromonas Haloplanktis TAC125acitive against BurkholderiaAntarcticSannino et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAlcaligenes Faecalisn/an/a
BacteriaArthrobacter Nitroguajacoliusn/an/a
BacteriaBacillus Spp.n/an/a
BacteriaLysobacter Gummosusn/an/a
BacteriaSporosarcina Ginsengisolin/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaPseudoalteromonas Haloplanktis TAC125TYP/GGSPME-GC-MSno


2-methylpropan-1-amine

Mass-Spectra

Compound Details

Synonymous names
Monoisobutylamine
ISOBUTYLAMINE
Valamine
KDSNLYIMUZNERS-UHFFFAOYSA-N
Isobutylamine, analytical standard
iso-Butylamine
2-Methylpropylamine
2-Methylpropanamine
isobutyl-amine
isobutyl amine
I-Butylamine
2-methyl aminopropane
N-iso-butylamine
AC1L1MSP
iso-butyl amine
2-methylpropyl amine
AC1Q53LM
AC1Q1PI7
AC1Q1PI6
AC1Q1PI5
1H60H4LOHZ
Isobutylamine, 99%
(2-methylpropyl)amine
KSC492A7L
UNII-1H60H4LOHZ
2-Methyl-1-Aminopropane
UN1214
ACMC-209pfe
2-methylpropane-1-amine
7114AF
NSC8028
iso-C4H9NH2
1-Amino-2-methylpropane
2-methylpropan-1-amine
I0095
3-Methyl-2-propylamine
2-methyl-1-propylamine
2-Methyl-1-propanamine
HSDB 612
CTK3J2075
RP18327
CCRIS 6250
C02787
DTXSID9025459
LS-1755
UN 1214
BBL027687
NSC 8028
NSC-8028
WLN: Z1Y1&1
OR010838
OR341593
OR341594
ZINC4658586
1-Propanamine,2-methyl-
CHEBI:15997
TRA0097433
SC-23248
AN-23960
ANW-37224
KB-52742
MO 08479
MFCD00008146
TR-032035
RTR-032035
AI3-24039
DB-056335
1-Propanamine, 2-methyl-
AKOS000119607
I05-0351
J-510080
FT-0695051
FT-0607317
78-81-9
F2190-0360
Isobutylamine [UN1214] [Flammable liquid]
MCULE-8319193456
EINECS 201-145-4
Isobutylamine [UN1214] [Flammable liquid]
Isobutylamine, purum, >=98.0% (GC)
HYDROGEN(+1) CATION; 2-METHYLPROPAN-1-AMINE
MolPort-001-791-754
79530-EP2305696A2
79530-EP2305695A2
79530-EP2305697A2
79530-EP2305698A2
137382-EP2377849A2
137382-EP2292606A1
137382-EP2287141A1
137382-EP2277848A1
InChI=1/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H
Microorganism:

Yes

IUPAC name2-methylpropan-1-amine
SMILESCC(C)CN
InchiInChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
Formula(CH3)2CHCH2NH2
PubChem ID6558
Molweight73.139
LogP0.62
Atoms16
Bonds15
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmines

mVOC Specific Details

Volatilization
A pKa of 10.68(1) indicates isobutylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). The potential for volatilization of isobutylamine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 138 mm Hg(3).
Literature: (1) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)
Soil Adsorption
The Koc of isobutylamine is estimated as 60(SRC), using a log Kow of 0.73(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isobutylamine is expected to have high mobility in soil. The pKa of isobutylamine is 10.68(4) indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 10 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983) (4) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
138 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaProteus MirabilisMa et al. 2012Ma Q, Fonseca A, Liu W, Fields AT, Pimsler ML, Spindola AF, Tarone AM, Crippen TL, Tomberlin JK, Wood TK (2012) Proteus mirabilis interkingdom swarming signals attract blow flies. ISME J 6:1356–1366
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaProteus MirabilisLBno


2-methylbutan-1-amine

Mass-Spectra

Compound Details

Synonymous names
VJROPLWGFCORRM-UHFFFAOYSA-N
2-METHYLBUTYLAMINE
2-Mehtylbutylamine
2-Methylbutanamine
ACMC-1CBVC
2-methylbutyl amine
2-METHYL-BUTYLAMINE
ACMC-20aphu
AC1Q53LN
AC1L1OF4
2(RS)-methylbutylamine
2-methyl butyl amine
(2-Methylbutyl)amine
AC1Q2S92
KM3412
2-Methyl-1-butylamine
V9869
2-methylbutan-1-amine
2-Methyl-1-butanamine
CTK3I7427
M0767
1-Amino-2-methylbutane
M1263
CHEMBL294955
SB01376
STR05422
Butylamine, 2-methyl-
(2RS)-2-methylbutylamine
OR035218
OR129974
2-Methyl-Butan-1-Amine
1-amino-2-methyl-butane
2-Methyl-1-butanamine #
GEO-01791
KB-88392
ANW-40796
MFCD00008147
TR-030125
I05-3060
AKOS017343182
AKOS000164014
1-Butanamine, 2-methyl-
(2-Methylbutyl)amine, >=97%
FT-0613024
96-15-1
3B1-004615
MCULE-2777327284
2799-00-0
EINECS 202-483-5
MolPort-000-146-031
Microorganism:

Yes

IUPAC name2-methylbutan-1-amine
SMILESCCC(C)CN
InchiInChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3
FormulaC5H13N
PubChem ID7283
Molweight87.166
LogP1.06
Atoms19
Bonds18
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmines

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStaphylococcus AureusRobacker and Flath 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStaphylococcus Aureusno


Benzene-1,4-diamine

Mass-Spectra

Compound Details

Synonymous names
Paraphenylenediamine
Fenylenodwuamina
para-phenylenediamine
paraphenylene diamine
paraphenylene-diamine
Paraphenylen-diamine
CBCKQZAAMUWICA-UHFFFAOYSA-N
p-Phenylenediamine
p-Benzenediamine
p-Diaminobenzene
p-Fenylendiamin
p-Phenyldiamine
4-aminophenylamine
4-Phenylenediamine
Orsin
p-Aminoaniline
p-phenylenediamine base
PARA PHENYLENE DIAMINE
Phenylenediamine, para
Aminogen II
Developer PF
Fouramine D
Futramine D
JAROCOL PPD
Santoflex IC
Santoflex LC
4-Aminoaniline
Benzofur D
Fourrine D
Fur Yellow
P-PHENYLENE DIAMINE
p-phenylene-diamine
Pelagol D
Pelagol DR
Tertral D
Fenylenodwuamina [Polish]
Furro D
Peltol D
Renal PF
Rodol D
Ursol D
ACMC-1CUCB
Durafur Black R
Fourrine 1
Nako H
Pelagol Grey D
Phenylenediamine, para-
BASF ursol D
Zoba Black D
1,4-Phenylenediamine
4-amino-aniline
AC1L1PM0
AC1Q53DE
Developer 13
PHENYLENEDIAMINE, P-
1,4 diaminobenzene
1,4-BENZENEDIAMINE
1,4-Diaminobenzene
AC1Q521T
AC1Q521U
AC1Q521V
AC1Q521W
I809
KSC174M0N
Oxidation base 10
UNII-TJX894Z2PK component CBCKQZAAMUWICA-UHFFFAOYSA-N
CI Developer 13
NSC4777
p-Fenylendiamin [Czech]
PubChem22180
SCHEMBL27981
1,4 phenylene diamine
1,4-phenylene diamine
CCRIS 509
CTK0H4606
P0170
U770QIT64J
1,4-diamino benzene
1,4-DIAMINO-BENZENE
ACT07286
AS00466
benzene-1,4-diamine
CHEMBL403741
CI Oxidation Base 10
LS-402
NE10526
RP09002
STR01091
WLN: ZR DZ
C19499
HSDB 2518
p-Phenylenediamine, sublimed, >=99%
UNII-U770QIT64J
AK110185
BBL011602
DTXSID9021138
NSC 4777
NSC-4777
OR000317
STL163334
UN 1673
Usaf ek-394
CHEBI:51403
DSSTox_CID_1138
ZINC8294962
AB1002877
AJ-57421
AN-22438
ANW-15356
CI 76060
CJ-13205
DSSTox_GSID_21138
KB-80078
LABOTEST-BB LTBB002107
SC-77433
ST2419110
TRA0038404
1,4-Phenylenediamine-13N2
ATTERCOP-CHM AT126215
BB_SC-7053
DSSTox_RID_75969
Fur Black 41866
Fur Black 41867
FUR Brown 41866
MFCD00007901
ZINC08294962
AI3-00710
C.I. Developer 13
RTR-013269
AKOS005716327
Epitope ID:114080
I01-4376
C.I. Oxidation Base 10
FT-0606928
p-Phenylenediamine, flakes, >=99.5%
p-Phenylenediamine, zone-refined, purified by sublimation, >=99%
Z426537038
EN300-19064
OTAVA-BB 1509975
Tox21_111615
Tox21_201993
Tox21_302943
106-50-3
3B1-000655
3B1-001622
F0001-0125
C.I. 76060
MCULE-9588027148
NCGC00159375-02
NCGC00159375-03
NCGC00159375-04
NCGC00159375-05
NCGC00256482-01
NCGC00259542-01
CAS-106-50-3
EINECS 203-404-7
HSDB 6256 (Salt/Mix)
56481-76-6
82785-55-5
Tox21_111615_1
p-Phenylenediamine, >=99.0% (GC/NT)
MolPort-001-766-737
540-24-9 (mono-hydrochloride)
624-18-0 (di-hydrochloride)
1,4-Benzenediamine; 1,4-Diaminobenzene; 1,4-Phenylenediamine
p-Phenylenediamine, technical, >=97.0% (GC/NT)
16245-77-5 (monosulfate)
62654-17-5 (monooxalate)
p-Phenylenediamine [UN1673] [Keep away from food]
C.I. 76076 (Salt/Mix)
p-Phenylenediamine [UN1673] [Keep away from food]
InChI=1/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H
Microorganism:

Yes

IUPAC namebenzene-1,4-diamine
SMILESC1=CC(=CC=C1N)N
InchiInChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
FormulaC6H4(NH2)2
PubChem ID7814
Molweight108.144
LogP0.32
Atoms16
Bonds16
H-bond Acceptor2
H-bond Donor2
Chemical ClassificationBenzenoids Amines nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for 1,4-benzenediamine is estimated as 6.7X10-10 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 1,4-benzenediamine will be essentially nonvolatile from water surfaces(2,SRC). 1,4-Benzenediamine is not expected to volatilize from dry soil surfaces based on an extrapolated vapor pressure of 0.005 mm Hg at 25 deg C(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Yaws CL; Handbook of Vapor Pressure. Vol 2 C5-C7 Compounds. Houston, TX: Gulf Publ Co (1994)
Soil Adsorption
Based on a recommended classification scheme(1), an estimated Koc value of 16(SRC), determined from a measured log Kow of -0.3(2) and a recommended regression-derived equation(3), indicates that 1,4-benzenediamine is expected to have high mobility in soil(SRC); however it may form covalent bonds to humic material which would limit movement through soil(4).
Literature: (1) Swann RL et al; Res Rev 85: 23 (1983) (2) Hansch C, Leo A; Exploring QSAR Fundamentals and Applications in Chemistry and Biology. Washington, DC: Amer Chem Soc (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 5-4, 5-10 (1990) (4) Adrian P et al; Chemosphere 18: 1599-1609 (1989)
Vapor Pressure
PressureReference
<1 mm Hg at 21 deg C (technical product)IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: http://monographs.iarc.fr/ENG/Classification/index.php, p. V16 126 (1978)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Aurantiacan/aFernando et al., 2005
BacteriaPseudomonas Chlororaphisn/aFernando et al., 2005
BacteriaPseudomonas Corrugaten/aFernando et al., 2005
BacteriaPseudomonas Fluorescensn/aFernando et al., 2005
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a


3-methylbutan-1-amine

Mass-Spectra

Compound Details

Synonymous names
Monoisopentylamine
Isobutylcarbylamine
Monoisoamylamine
Isovalerylamine
Isopentylamine
ISOAMYLAMINE
gamma-Isoamylamine
BMFVGAAISNGQNM-UHFFFAOYSA-N
Leucamine
Isopentylamine, analytical standard
isopentyl amine
3-Methylbutylamine
isoamyl amine
3-Methylbutanamine
LEN
ISOAMYLAMINE, REAG
AC1L1PSO
AC1Q1PDF
3-Methyl-Butylamine
amino 3-methylbutane
iso-amyl amine
3-methyl butylamine
LPO0L33SHY
3,3-Dimethylpropylamine
.gamma.-Isoamylamine
Isopentylamine, >=98%
ACMC-1C2LR
UNII-LPO0L33SHY
Isopentylamine, 99%
GTPL5506
(3-methylbutyl)amine
3-methyl-butyl-amine
CHEMBL42003
NSC7907
3,3-dimethyl-propylamine
7347AF
3-Methyl-1-butanamine
CTK0H8363
1-Amino-3-methylbutane
3-Methyl-1-butylamine
3-METHYLBUTAN-1-AMINE
I0082
AC1Q5499
C02640
Butylamine, 3-methyl-
LTBB005417
2-(2-isopropyl)ethylamine
NSC-7907
LP066711
OR012159
OR199510
NSC 7907
DTXSID7059355
CHEBI:43689
3-Methyl-Butan-1-Amine
3-Methyl-1-butanamine #
ZINC4658584
ANW-15857
TRA0089077
BDBM50024589
MFCD00008203
TR-001873
AI3-24040
Propylamine, 3,3-dimethyl-
RTR-001873
DB-040790
J-002023
1-Butanamine, 3-methyl-
AKOS000119764
FEMA No. 3219
FT-0616144
I14-17836
F2190-0364
107-85-7
MCULE-3081003576
EINECS 203-526-0
(3-methyl-but-1-yl)-amine
Isopentylamine, purum, >=98.0% (GC)
541-23-1 (hydrochloride)
MolPort-001-791-387
11149-EP2316828A1
InChI=1/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H
Microorganism:

Yes

IUPAC name3-methylbutan-1-amine
SMILESCC(C)CCN
InchiInChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
FormulaC5H13N
PubChem ID7894
Molweight87.166
LogP0.99
Atoms19
Bonds18
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmines nitrogen compounds

mVOC Specific Details

1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaStaphylococcus AureusRobacker and Flath 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaStaphylococcus Aureusno


Butan-1-amine

Mass-Spectra

Compound Details

Synonymous names
Monobutilamina
Monobutylamime
Monobutylamine
Aminobutane
Butanamine
Butylamine
Butylarnine
Norralamine
Norvalamine
HQABUPZFAYXKJW-UHFFFAOYSA-N
Butylamine, analytical reference material
butyl amine
LYT
n-Butilamina
n-butyiamine
N-Butylamin
N-BUTYLAMINE
1-Butanaminen-butilamina
normal-butyl amine
1-Aminobutan
1-Aminobutane
1-Butanamine
1-Butylamine
Mono-n-butylamine
Monobutilamina [Romanian]
Aminobutane (Related)
BUTYLAMINE, N
n-butyl amine
n-butyl-amine
AC1L1Q1U
1-Amino-butaan
1-amino-butan
1-AMINO-BUTANE
butan-1-amine
butane-1-amine
N2QV60B4WR
Butylamine, >=99%
KSC175M4L
Butylamine, 99%
CHEMBL13968
n-Butilamina [Italian]
NSC8029
UN1125
UNII-N2QV60B4WR
2-amino-2-methylpropan
B0707
CTK0H5645
HSDB 515
n-Butylamin [German]
n-C4H9NH2
WLN: Z4
DB03659
LS-485
n-butan-1-amine
RP18328
1-Aminobutan [German]
CCRIS 4756
BBL027788
BT000102
DTXSID1021904
FEMA Number 3130
LP113871
NSC 8029
NSC-8029
OR034464
STL308736
UN 1125
CHEBI:43799
DSSTox_CID_1904
ZINC1586365
AJ-27547
AN-22572
ANW-16086
Butylamine, 99.5%
DSSTox_GSID_21904
KB-48519
TRA0026534
1-Amino-butaan [Dutch]
ACMC-209948
BB_SC-6761
DSSTox_RID_76395
MFCD00011690
AI3-24197
NCIOpen2_009229
RTR-002082
TR-002082
AKOS000118810
I05-0345
J-002322
FEMA No. 3130
FT-0623326
Tox21_301131
109-73-9
F2190-0358
Butylamine, puriss., 99.0%
MCULE-4233278050
NCGC00248302-01
NCGC00255030-01
CAS-109-73-9
EINECS 203-699-2
42939-72-0
50929-03-8
85404-21-3
1-Butylamine, 99% 100ml
n-Butylamine [UN1125] [Flammable liquid]
4454-EP2281563A1
4454-EP2287141A1
4454-EP2289510A1
4454-EP2289887A2
4454-EP2289888A2
4454-EP2289894A2
4454-EP2298746A1
4454-EP2305629A1
4454-EP2308838A1
4454-EP2308867A2
4454-EP2308870A2
4454-EP2311804A2
MolPort-001-788-476
3858-78-4 (hydrochloride)
Butylamine, purum, >=98.0% (GC)
Butylamine, purum, >=99.0% (GC)
12339-EP2270010A1
12339-EP2272517A1
12339-EP2289509A2
12339-EP2292619A1
12339-EP2295418A1
12339-EP2298742A1
12339-EP2298761A1
12339-EP2305250A1
12339-EP2305642A2
12339-EP2308812A2
12339-EP2314298A1
12339-EP2314593A1
12339-EP2316974A1
12339-EP2377849A2
56744-EP2298305A1
56744-EP2298769A1
56744-EP2308878A2
n-Butylamine [UN1125] [Flammable liquid]
Butylamine, puriss., >=99.5% (GC)
InChI=1/C4H11N/c1-2-3-4-5/h2-5H2,1H
N-BUTYLAMINE (SEE ALSO: SEC-BUTYLAMINE (CAS 13952-84-6) &TERT-BUTYLAMINE (CAS 75-64-9))
Microorganism:

Yes

IUPAC namebutan-1-amine
SMILESCCCCN
InchiInChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
FormulaCH3(CH2)3NH2
PubChem ID8007
Molweight73.139
LogP0.7
Atoms16
Bonds15
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmines nitrogen containing compounds

mVOC Specific Details

Volatilization
A pKa of 10.78(1) indicates n-butylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). The potential for volatilization of n-butylamine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 92.9 mm Hg(5).
Literature: (1) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp 5 Vol (1995)
Soil Adsorption
The Koc of n-butylamine has been determined to be 15, 105 and 107 in Podzol soil, Alfisol soil and sediment, respectively(1). According to a classification scheme(2), these Koc values suggest that n-butylamine is expected to have high mobility in soil(SRC). The pKa of n-butylamine is 10.78(3) indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).
Literature: (1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
92.9 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAlcaligenes FaecalisInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaArthrobacter NitroguajacoliusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaBacillus Spp.Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaLysobacter GummosusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaSporosarcina GinsengisoliInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaStenotrophomonas MaltophiliaInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAlcaligenes Faecalisn/an/a
BacteriaArthrobacter Nitroguajacoliusn/an/a
BacteriaBacillus Spp.n/an/a
BacteriaLysobacter Gummosusn/an/a
BacteriaSporosarcina Ginsengisolin/an/a
BacteriaStenotrophomonas Maltophilian/an/a


Methyl 2-aminobenzoate

Mass-Spectra

Compound Details

Synonymous names
Methylanthranilate
Methylester kyseliny anthranilove
o-methoxycarbonylaniline
o-Carbomethoxyaniline
Anthranilic acid methylester
methyl aminobenzoate
METHYL ANTHRANILATE
methyl antranilate
NATURAL METHYL ANTHRANILATE
VAMXMNNIEUEQDV-UHFFFAOYSA-N
2-Carbomethoxyaniline
NEROLI
Anthranilic acid methyl
Methyl o-aminobenzoate
Anthranilic acid methyl ester
ANTHRANILIC ACID:METHYL ESTER
O-methyl anthranilate
Nevoli oil
AC1L1REA
AC1Q5ZBB
Methyl 2-aminobenzoate
METHYL 2-ANTHRANILATE
METHYL-2-AMINOBENZOATE
Methylester kyseliny anthranilove [Czech]
o-Amino methyl benzoate
o-Aminobenzoic acid methyl ester
2-(Methoxycarbonyl)aniline
Anthranilic acid, methyl ester
Neroli oil, artifical
Neroli oil, artificial
AC1Q42HZ
Acetaminophen 100% Powder
Methyl anthranilate (natural)
2-Aminobenzoic acid methyl ester
methyl 2-amino-benzoate
Methyl ester of o-Aminobenzoic acid
KSC115A6D
o-Aminobenzoic acid, methyl ester
Natural Mandarin Pettigrain F.D.
NSC3109
PubChem13629
SCHEMBL57713
A0500
CTK0B5061
2-amino benzoic acid methyl ester
2-amino-benzoic acid methyl ester
2-Aminobenzoic acid, methyl ester
ACMC-209bu5
AS01236
BENZOIC ACID METHYL ESTER,2-AMINO
LS-775
RP21463
981I0C1E5W
Amino methyl benzoate, o-
C20634
CCRIS 1349
FEMA 2682
HSDB 1008
WLN: ZR BVO1
ZINC157525
BBL027653
CHEMBL1493986
DTXSID6025567
Jsp002075
NSC 3109
NSC-3109
OR025120
OR214658
OR214659
SBB059788
STK045541
ZB006711
CHEBI:73244
DSSTox_CID_5567
M-5862
Methyl 2-aminobenzoate, 99%
UNII-981I0C1E5W
AC-11600
AJ-15047
AK-41339
AN-23083
ANW-19611
CJ-01677
DSSTox_GSID_25567
KB-54722
LABOTEST-BB LTBB000479
SC-11429
ST2413278
TL8006109
TRA0074470
BB_SC-2799
DSSTox_RID_77832
MFCD00007710
ZINC00157525
AI3-01022
Benzoic acid, amino-, methyl ester
DB-042220
KB-228184
RTR-033354
ST45255311
TR-033354
AKOS000119222
Epa Pesticide Chemical Code 128725
I01-6584
W-108288
BRN 0606965
FEMA No. 2682
FT-0622414
Methyl anthranilate, natural, >=99%, FG
Methyl anthranilate, >=98%, FCC, FG
OTAVA-BB 1867348
Tox21_201657
Tox21_300347
134-20-3
F2141-0131
Benzoic acid, 2-amino-, methyl ester
Methyl 2-aminobenzoate, ReagentPlus(R), >=99%
MCULE-3500477192
NCGC00091409-01
NCGC00091409-02
NCGC00091409-03
NCGC00254347-01
NCGC00259206-01
CAS-134-20-3
EINECS 205-132-4
143202-08-8
Methyl 2-aminobenzoate, Vetec(TM) reagent grade, 98%
MolPort-000-004-891
Methyl anthranilate, natural (US), >=99%, FG
InChI=1/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H
Microorganism:

Yes

IUPAC namemethyl 2-aminobenzoate
SMILESCOC(=O)C1=CC=CC=C1N
InchiInChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
FormulaC8H9NO2
PubChem ID8635
Molweight151.165
LogP1.8
Atoms20
Bonds20
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationBenzenoids Amines Esters nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for methyl anthranilate is estimated as 1.9X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 0.027 mm Hg(1), and water solubility, 2,850 mg/liter(2). This Henry's Law constant indicates that methyl anthranilate is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 16 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 178 days(SRC). Methyl anthranilate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl anthranilate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984) (2) Beilstein Handbook of Organic Chemistry; 4th ed, EIV, 14: 1008 (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of methyl anthranilate is estimated as 250(SRC), using a log Kow of 1.88(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl anthranilate is expected to have moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc, p. 42 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.71X10-2 mm Hg @ 25 deg C /Extrapolated/Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a


1-(2-aminophenyl)ethanone

Mass-Spectra

Compound Details

Synonymous names
orthoaminoacetophenone
2'aminoacetophenone
ortho-aminoacetophenone
O-AMINOACETOPHENONE
o-Aminoacetylbenzene
GTDQGKWDWVUKTI-UHFFFAOYSA-
GTDQGKWDWVUKTI-UHFFFAOYSA-N
2'-Aminoacetophenone
2'-Amonioacetophenone
o-Acetylaniline
2-acetylphenylamine
o-Amino acetophenone
VNJ
2-Acetylaniline
2'-Aminoacetophenone, analytical standard
o-Aminophenyl methyl ketone
1-acetyl-aminobenzene
2-(methylcarbonyl)benzeneamine
2'-Amino acetophenone
AC1Q1JXJ
5 kaal
6-acetyl-aniline
AC1L1WL5
AC1Q1JG5
KSC270G2N
1-Acetyl-2-aminobenzene
ACMC-209zid
NSC8820
PubChem21792
2'-Aminoacetophenone, >=98%
A0250
CTK1H0326
2'-Aminoacetophenone, 98%
Acetophenone, 2'-amino-
LS10731
RP20208
SCHEMBL309044
STR00923
1-(2'-aminophenyl)ethanone
HSDB 5494
ZINC164490
1-(2-Aminophenyl)ethanone
BBL011560
CHEMBL2251601
CS-D1191
DTXSID4052213
NSC 8820
NSC-8820
OR000728
OR113119
OR113120
OR252193
PS-4579
SBB058825
STL146696
SY001368
ZB008164
CHEBI:91110
M-5202
69Y77091BC
AC-25881
AJ-16178
AK-27106
AN-23660
ANW-50291
BP-21338
BR-27106
DSSTox_GSID_52213
ETHANONE,1-(AMINOPHENYL)-
SC-25871
TRA0069241
1-(2-Aminophenyl)ethanone #
BB_SC-9205
DSSTox_CID_30784
MFCD00007717
ZINC00164490
1-(2-aminophenyl)-ethanone
AI3-04095
AM20060473
DB-014028
ST24032157
ST51038535
TC-139036
UNII-69Y77091BC
AKOS000120944
J-507741
W-105581
Ethanone, 1-(aminophenyl)-
1-(2-amino-phenyl)-ethanone
Tox21_304027
1-(2-aminophenyl)ethane-1-one
551-93-9
1-(2-aminophenyl)-1-ethanone
1-(2-Aminophenyl)Ethan-1-One
Acetophenone, 2'-amino- (8CI)
MCULE-8977994715
NCGC00357236-01
CAS-551-93-9
EINECS 209-002-8
Ethanone, 1-(2-aminophenyl)-
27941-88-4
MolPort-000-145-929
25384-14-9 (hydrochloride)
InChI=1/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
Microorganism:

Yes

IUPAC name1-(2-aminophenyl)ethanone
SMILESCC(=O)C1=CC=CC=C1N
InchiInChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
FormulaC8H9NO
PubChem ID11086
Molweight135.166
LogP1.35
Atoms19
Bonds19
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationBenzenoids Ketones Amines nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
BP 250-252 DEG C @ 760 MM HG (SOME DECOMP)Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 68
Solubility
PRACTICALLY INSOL IN WATER; SOL IN ALC
Literature: Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 68
Literature: #SOL IN ETHER
Literature: Lide, D.R. (ed). CRC Handbook of Chemistry and Physics. 72nd ed. Boca Raton, FL: CRC Press, 1991-1992., p. 3-22
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaPseudomonas Aeruginosabreath biomarker for the detection of Ps.aeruginosa infections in the cystic fibrosis lungScott-Thomas et al., 2010
BacteriaPseudomonas Aeruginosa Spp.intermediate product in the biosynthesis of quinalozinesfrom respiratory specimensScott-Thomas et al., 2010
BacteriaStreptomyces Caviscabiesn/aSchulz and Dickschat, 2007
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaPseudomonas Aeruginosa PA01nanaBriard et al., 2016
BacteriaBurkholderia Ambifaria LMG 19467Groenhagen et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaPseudomonas AeruginosaColumbia sheep blood agarSPME/GC-MS
BacteriaPseudomonas Aeruginosa Spp.Sheep Blood agar; Columbia Sheep Blood agar; Mueller-Hinton agar; Luria Bertani agar; M9 Minimal Media broth; laboratory tap waterSPME-GC/MSYes
BacteriaStreptomyces Caviscabiesn/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaPseudomonas Aeruginosa PA01minimal medium/ Brian mediumSPME-GC/MSNo
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt ExtractYes


2-aminobenzaldehyde

Compound Details

Synonymous names
Anthranilaldehyde
aminobenzaldehyde
o-Aminobenzaldehyde
anthranil aldehyde
FXWFZIRWWNPPOV-UHFFFAOYSA-N
FXWFZIRWWNPPOV-UHFFFAOYSA-
2-Aminobenzaldehyde
2-Formylaniline
2-amino-benzaldehyde
Benzaldehyde, amino-
AC1Q6Q8Z
AC1L29D1
U069
PubChem15692
ACMC-1B01B
SCHEMBL25505
CTK0J1128
2-Aminobenzaldehyde, >=98%
RP19409
AS04430
LS10114
Benzaldehyde, 2-amino-
DTXSID6060183
GS-3280
OR000452
OR173934
OR278978
SBB061591
STL280125
ZINC4202514
A-2029
AK-45623
AJ-48449
KB-20261
SCHEMBL14562109
SC-13362
ANW-66467
TRA0057444
AN-45596
MFCD00007709
ZINC04202514
RTR-032935
TR-032935
AI3-52264
ST24039995
ST51047883
DB-005184
WT-130713
KB-228169
CS-W007486
AKOS006221234
J-508021
I01-0084
4CH-004142
FT-0695012
FT-0601048
FT-0082505
ghl.PD_Mitscher_leg0.1278
529-23-7
MCULE-3748234668
EINECS 208-454-3
29734-16-5
(6-Imino-2,4-cyclohexadien-1-ylidene)methanol
MolPort-001-781-443
31668-EP2308858A1
31668-EP2311816A1
31668-EP2311817A1
InChI=1/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2
Microorganism:

Yes

IUPAC name2-aminobenzaldehyde
SMILESC1=CC=C(C(=C1)C=O)N
InchiInChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2
FormulaC7H7NO
PubChem ID68255
Molweight121.139
LogP1.51
Atoms16
Bonds16
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationBenzenoids Aldehydes Amines nitrogen containing compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aDickschat et al., 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a


O-(2-methylpropyl)hydroxylamine

Compound Details

Synonymous names
O-Isobutylhydroxylamine
RUMFZCKCISCDMG-UHFFFAOYSA-N
O-Isobutyl-Hydroxylamine
iso-Butoxyamine
AC1LBIM0
O-(Isobutyl)hydroxylamine
Hydroxylamine, O-isobutyl-
O-(2-methylpropyl)hydroxylamine
AC1Q593O
CTK1F5116
TPC-A019
OR035288
OR285350
ZINC2528043
DTXSID40336799
AJ-38212
DB-072110
AKOS002684953
Hydroxylamine, O-(2-methylpropyl)-
5618-62-2
Microorganism:

Yes

IUPAC nameO-(2-methylpropyl)hydroxylamine
SMILESCC(C)CON
InchiInChI=1S/C4H11NO/c1-4(2)3-6-5/h4H,3,5H2,1-2H3
FormulaC4H11NO
PubChem ID536422
Molweight89.138
LogP0.88
Atoms17
Bonds16
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAmines nitrogen containing compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
FungiAspergillus FlavusnanaSpraker et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
FungiAspergillus Flavusglucose minimal mediumSPME-GC/MSNo


7-methyl-1,8-naphthyridin-2-amine

Compound Details

Synonymous names
ZIFGWWCUONMOLI-UHFFFAOYSA-N
AMND
AC1LC4Y2
4934AD
CTK0E7392
BBL003691
STK895670
SCHEMBL2901701
FCH919566
AK118008
HE034265
W-4121
Ambcb4017230
DTXSID70344100
AJ-84975
AB0134438
MFCD06408360
ZINC32198129
ZX-AN011716
ZX-CM004772
ALBB-012928
AKOS005173872
I05-1472
J-009351
FT-0645252
3B1-001720
2-methyl-7-amino-1,8-naphthyridine
2-Amino-7-methyl-1,8-naphthyridine
7-methyl-1,8-naphthyridin-2-amine
MCULE-9955824237
1568-93-0
7-Methyl[1,8]naphthyridin-2-amine #
MolPort-000-165-135
1,8-Naphthyridine, 2-amino-7-methyl-
1,8-Naphthyridin-2-amine, 7-methyl-
Microorganism:

Yes

IUPAC name7-methyl-1,8-naphthyridin-2-amine
SMILESCC1=NC2=C(C=C1)C=CC(=N2)N
InchiInChI=1S/C9H9N3/c1-6-2-3-7-4-5-8(10)12-9(7)11-6/h2-5H,1H3,(H2,10,11,12)
FormulaC9H9N3
PubChem ID594420
Molweight159.192
LogP1.14
Atoms21
Bonds22
H-bond Acceptor3
H-bond Donor1
Chemical Classificationamines pyridines naphthyridines nitrogen containing compounds heterocyclic compounds nitogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaLegionella Pneumophilacould serve as potential biomarkers to distinguish between viruses and bacteriaQader et al., 2015
BacteriaMoraxella Catarrhaliscould serve as potential biomarkers to distinguish between viruses and bacteriaQader et al., 2015
BacteriaHaemophilus Influenzaehumans, respiratory infectionsAbd El Qader et al. 2015
BacteriaLegionella Pneumophilahumans, respiratory infectionsAbd El Qader et al. 2015
BacteriaMoraxella Catarrhalishumans, respiratory infectionsAbd El Qader et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaLegionella Pneumophilablood cultureSPME/GC-MS No
BacteriaMoraxella Catarrhalisblood cultureSPME/GC-MS No
BacteriaHaemophilus Influenzaeblood culture mediumSPME-GC-MSno
BacteriaLegionella Pneumophilablood culture mediumSPME-GC-MSno
BacteriaMoraxella Catarrhalisblood culture mediumSPME-GC-MSno


2-amino-1-phenylethanone

Compound Details

Synonymous names
aminoacetophenone
omega-Aminoacetophenone
alpha-Demethylcathinone
alpha-Aminoacetophenone
Phenacylamine
alpha-Aminoactophenone
HEQOJEGTZCTHCF-UHFFFAOYSA-N
amino acetophenone
2-Aminoecetophenone
2-Aminoacetophenone
.omega.-Aminoacetophenone
AC1L1YIF
2-amino acetophenone
2-Amino-acetophenone
2-amino-1-phenylethanone;hydrochloride
AC1Q53KK
L191
2-amino-1phenyl-ethanone
2-Amino-1-phenylethanone
2-oxo-2-phenylethylamine
PubChem10002
SCHEMBL45515
2-amino-1-phenyl-ethanone;hydrochloride
BDBM96824
2-amino-1-phenylethanone;Phe-Met-OMehydrochloride
CTK5B3164
2-azanyl-1-phenyl-ethanone;hydrochloride
CHEMBL128079
RP20209
ACETOPHENONE, 2-AMINO-
2-Amino-1-phenylethanone #
SBB063139
SCHEMBL9855165
2-amino-1-phenyl-ethanone
2-amino-1 phenyl-ethanone
BBL028098
STK684967
ST085525
Spectrum_001806
S-3210
KBioGR_001773
AN-46528
KBioSS_002299
LS-13357
KB-93542
KB-68132
KB-68122
4M571C83H7
DTXSID80210206
SC-05744
AB0014579
AC-22359
BSPBio_002845
AK-35855
BR-35855
TL8003605
ANW-32257
Spectrum3_001033
Spectrum2_001993
Spectrum4_001167
Spectrum5_001836
ZINC53194795
MFCD00064391
SPBio_002205
CHEBI:104022
ST24039841
RTC-070299
Ethanone,2-amino-1-phenyl-
2-oxo-2-phenyl-ethyl-amine
TC-070299
UNII-4M571C83H7
I01-2302
I01-0554
KBio3_002065
KBio2_002297
AKOS004114654
KBio2_004865
KBio2_007433
2-Amino-1-phenylethan-1-one
2-amino-1-phenyl-1-ethanone
SMR001306710
BRN 0507952
cid_2723597
MLS002207080
FT-0646389
Ethanone, 2-amino-1-phenyl-
613-89-8
MCULE-3575154157
NCGC00178437-01
NCGC00178437-02
EINECS 210-358-1
SDCCGMLS-0066907.P001
A3647/0154789
2-Aminoecetophenone / 2-amino-1-phenylethan-1-one
MolPort-000-490-692
5468-37-1 (mono-hydrochloride)
Ethanone, 2-amino-1-phenyl- (9CI)
4-14-00-00114 (Beilstein Handbook Reference)
BRD-K61831307-003-02-1
Microorganism:

Yes

IUPAC name2-amino-1-phenylethanone
SMILESC1=CC=C(C=C1)C(=O)CN
InchiInChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2
FormulaC8H9NO
PubChem ID11952
Molweight135.166
LogP0.61
Atoms19
Bonds19
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationKetones nitrogen containing compounds amines benzenoids

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas AeruginosaclinicPreti., 2009
BacteriaBacillus Cereus B-569n/aBlom et al., 2011
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Anthina LMG 20980n/aBlom et al., 2011
BacteriaBurkholderia Caledonica LMG 19076n/aBlom et al., 2011
BacteriaBurkholderia Caribensis LMG 18531n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Gladioli LMG 2216n/aBlom et al., 2011
BacteriaBurkholderia Glathei LMG 14190n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/aBlom et al., 2011
BacteriaBurkholderia Phenazinium LMG 2247n/aBlom et al., 2011
BacteriaBurkholderia Phenoliruptrix LMG 22037n/aBlom et al., 2011
BacteriaBurkholderia Phytofirmans LMG 22487n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaBurkholderia Thailandensis LMG 20219n/aBlom et al., 2011
BacteriaCellulomonas Udan/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaEscherichia Coli OP50n/aBlom et al., 2011
BacteriaPseudomonas Aeruginosa PUPa3n/aBlom et al., 2011
BacteriaPseudomonas Chlororaphisn/aBlom et al., 2011
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaSerratia Entomophilia A1MO2n/aBlom et al., 2011
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas AeruginosaBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaBacillus Cereus B-569LB and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Andropogonis LMG 2129LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Anthina LMG 20980LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caledonica LMG 19076LB, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caribensis LMG 18531LB and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Fungorum LMG 16225LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Gladioli LMG 2216LB and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glathei LMG 14190LB and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Graminis LMG 18924MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485LB, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenazinium LMG 2247LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenoliruptrix LMG 22037LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Terricola LMG 20594LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Thailandensis LMG 20219LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaCellulomonas UdaMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChromobacterium Violaceum CV0LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaEscherichia Coli OP50LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Aeruginosa PUPa3LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas ChlororaphisMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Fluorescens WCS 417rLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Putida ISOfLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Entomophilia A1MO2LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens MG1LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica HRO-C48LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica IC14LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans B5aLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStenotrophomonas Rhizophilla Ep10-p69LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)


Anthracen-2-amine

Mass-Spectra

Compound Details

Synonymous names
beta-Aminoanthracene
YCSBALJAGZKWFF-UHFFFAOYSA-N
YCSBALJAGZKWFF-UHFFFAOYSA-
2-Aminoanthracene
2-Anthracenamide
2-ANTHRACENAMINE
2-Anthracylamine
2-Anthrylamine
2-Anthramine
.beta.-Aminoanthracene
anthracen-2-amine
AC1L1YH6
CCRIS 22
AC1Q526J
CHEMBL83154
Anthracene, 2-amino
ACMC-209mrd
6173AF
CTK2F4266
SCHEMBL103680
BIDD:ER0574
BIDD:GT0166
2-Aminoanthracene, 96%
C14417
HSDB 4041
HMS3039P14
PL002135
DTXSID2024458
SBB003612
LS-1467
NSC400535
AK325003
DSSTox_CID_4458
ZINC1593346
CHEBI:34260
A833154
CJ-25520
AN-46512
KB-20260
ANW-33767
8240818JGU
DSSTox_GSID_24458
CC-09107
C-08571
2-Anthramine (8CI)
DSSTox_RID_77406
ZINC01593346
MFCD00003582
NSC-400535
NSC 400535
ST45026846
TR-021126
UNII-8240818JGU
AI3-52501
RTR-021126
DB-053837
AKOS004904683
I05-0048
SMR001307303
MLS002302986
BRN 2209414
FT-0611224
WLN: L C666J EZ
Tox21_201567
Tox21_303299
613-13-8
NCGC00091622-02
NCGC00259116-01
NCGC00257001-01
NCGC00091622-03
NCGC00091622-01
MCULE-3149525306
EINECS 210-330-9
CAS-613-13-8
2-Aminoanthracene, technical, >=90% (HPLC)
MolPort-001-792-037
InChI=1/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2
Microorganism:

Yes

IUPAC nameanthracen-2-amine
SMILESC1=CC=C2C=C3C=C(C=CC3=CC2=C1)N
InchiInChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2
FormulaC14H11N
PubChem ID11937
Molweight193.249
LogP3.12
Atoms26
Bonds28
H-bond Acceptor1
H-bond Donor1
Chemical Classificationanthracenes amines nitrogen containing compound benzenoids

mVOC Specific Details

Volatilization
The Henry's Law constant for 2-anthracenamine has been estimated to be 3.0X10-7 atm-cu m/mol at 25 deg C by combining a measured Henry's Law Constant for anthracene of 7.2X10-4 atm-cu m/mole at 25 deg C(1) with an estimation method based on structural bond contributions to intrinsic hydrophilic character(2,SRC). Given this value of Henry's Law constant and the relatively high Koc (15904 to 94276(4)) of 2-anthracenamine, it appears as though volatilization would not be a significant removal process from soil or water(3,SRC). This is apparent from the result of an EXAMS run for a model pond in which the effects of adsorption were considered. In this case, the volatilization half-life was determined to be 98 years(5,SRC).
Literature: (1) Mackay D et al; Environ Sci Tech 13: 333-7 (1982) (2) Hine J, Mookerjee PK J Org Chem 40: 292-8 (1975) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill pp. 15-1 to 15-32 (1982) (4) Means JC et al; Environ Sci Tech 16: 93-8 (1982) (5) USEPA; EXAMS II computer simulation (1987)
Soil Adsorption
Koc ranging between 94276 and 15904 were measured for 2-anthracenamine in fourteen different soils and sediments(1). These Koc are indicative of extremely strong adsorption to soil and suspended solids and sediments in water(2,SRC).
Literature: (1) Means JC et al; Environ Sci Tech 16: 93-8 (1982) (2) Swann RL et al; Res Rev 85: 117-28 (1983)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaShewanella Algae YM18nasea sediment in east China coastGong et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaShewanella Algae YM18NA mediumSPME-GC/MSNo


(E)-3-(aziridin-1-yl)-3-(dimethylamino)prop-2-enal

Compound Details

Synonymous names
NRCJELUZOZAJPC-XVNBXDOJSA-N
AC1NSGTV
3-(1-Aziridinyl)-3-(dimethylamino)propenal
2-Propenal, 3-(1-aziridinyl)-3-(dimethylamino)-
(E)-3-(aziridin-1-yl)-3-(dimethylamino)prop-2-enal
(2E)-3-(1-Aziridinyl)-3-(dimethylamino)-2-propenal #
Microorganism:

Yes

IUPAC name(E)-3-(aziridin-1-yl)-3-(dimethylamino)prop-2-enal
SMILESCN(C)C(=CC=O)N1CC1
InchiInChI=1S/C7H12N2O/c1-8(2)7(3-6-10)9-4-5-9/h3,6H,4-5H2,1-2H3/b7-3+
FormulaC7H12N2O
PubChem ID5362966
Molweight140.186
LogP0.25
Atoms22
Bonds22
H-bond Acceptor3
H-bond Donor0
Chemical Classificationamines nitrogen compounds aldehydes alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Putida BP25Luria Bertani AgarSolvent extraction with dichloro methane, GC/MSNo


2,2-dimethylpent-4-en-1-amine

Compound Details

Synonymous names
BTTIKHRJTKRJFR-UHFFFAOYSA-N
AC1LD3O8
CTK2H1110
SCHEMBL198297
OR094733
2,2-dimethyl-4-pentenylamine
DTXSID20348956
ZINC32302256
AKOS006340254
2,2-dimethyl-pent-4-enyl-amine
5-amino-4,4-dimethyl-1-pentene
2,2-dimethylpent-4-en-1-amine
2,2-dimethyl-4-penten-1-amine
73604-46-3
MolPort-022-364-713
4-penten-1-amine, 2,2-dimethyl-
InChI=1/C7H15N/c1-4-5-7(2,3)6-8/h4H,1,5-6,8H2,2-3H
Microorganism:

Yes

IUPAC name2,2-dimethylpent-4-en-1-amine
SMILESCC(C)(CC=C)CN
InchiInChI=1S/C7H15N/c1-4-5-7(2,3)6-8/h4H,1,5-6,8H2,2-3H3
FormulaC7H15N
PubChem ID641831
Molweight113.204
LogP1.58
Atoms23
Bonds22
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmines alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Flureorescens SBW25Cheng et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Flureorescens SBW25Kings B + rif,+kann; PDA GC-Q-TOF-MSno


1-(2,5-dimethoxy-4-methylsulfonylphenyl)propan-2-amine

Compound Details

Synonymous names
YDLBFQHWQNHGES-UHFFFAOYSA-N
AC1LBTQO
2,5-Dimethoxy-4-(methylsulfonyl)amphetamine
2,5-Dimethoxy-4-(methylsulfone)amphetamine
1-(2,5-dimethoxy-4-methylsulfonylphenyl)propan-2-amine
1-[2,5-Dimethoxy-4-(methylsulfonyl)phenyl]-2-propanamine #
Microorganism:

Yes

IUPAC name1-(2,5-dimethoxy-4-methylsulfonylphenyl)propan-2-amine
SMILESCC(CC1=CC(=C(C=C1OC)S(=O)(=O)C)OC)N
InchiInChI=1S/C12H19NO4S/c1-8(13)5-9-6-11(17-3)12(18(4,14)15)7-10(9)16-2/h6-8H,5,13H2,1-4H3
FormulaC12H19NO4S
PubChem ID542054
Molweight273.35
LogP0.33
Atoms37
Bonds37
H-bond Acceptor5
H-bond Donor1
Chemical Classificationsulfur compounds sulfones ethers amines

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
FungiAspergillus FlavusnanaSpraker et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo
FungiAspergillus Flavusglucose minimal mediumSPME-GC/MSNo


3-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]phenol

Compound Details

Synonymous names
YKLTVIAJEHKBRS-UHFFFAOYSA-N
AC1LBSMR
AKOS023431153
Benzeneethanamine, 3-fluoro-.beta.,5-dihydroxy-N-methyl-
3-Fluoro-5-[1-hydroxy-2-(methylamino)ethyl]phenol
3-Fluoro-5-[1-hydroxy-2-(methylamino)ethyl]phenol #
Microorganism:

Yes

IUPAC name3-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(C1=CC(=CC(=C1)F)O)O
InchiInChI=1S/C9H12FNO2/c1-11-5-9(13)6-2-7(10)4-8(12)3-6/h2-4,9,11-13H,5H2,1H3
FormulaC9H12FNO2
PubChem ID541491
Molweight185.198
LogP-0.25
Atoms25
Bonds25
H-bond Acceptor3
H-bond Donor3
Chemical ClassificationAmines halogenated compounds alcohols benzenoids

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAspergillus FlavusnanaSpraker et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAspergillus Flavusglucose minimal mediumSPME-GC/MSNo


2-(4-fluoro-1H-imidazol-5-yl)ethanamine

Compound Details

Synonymous names
XUFCIOJVJKPFMV-UHFFFAOYSA-N
4-Fluorohistamine
AC1LBSSI
AKOS006364799
2-(4-fluoro-1H-imidazol-5-yl)ethanamine
2-(4-Fluoro-1H-imidazol-5-yl)ethylamine #
Microorganism:

Yes

IUPAC name2-(4-fluoro-1H-imidazol-5-yl)ethanamine
SMILESC1=NC(=C(N1)CCN)F
InchiInChI=1S/C5H8FN3/c6-5-4(1-2-7)8-3-9-5/h3H,1-2,7H2,(H,8,9)
FormulaC5H8FN3
PubChem ID541569
Molweight129.138
LogP-0.5
Atoms17
Bonds17
H-bond Acceptor2
H-bond Donor2
Chemical Classificationamines imidazoles halogenated compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaHaemophilus Influenzaecould serve as potential biomarkers to distinguish between viruses and bacteriaQader et al., 2015
BacteriaLegionella Pneumophilahumans, respiratory infectionsAbd El Qader et al. 2015
BacteriaMoraxella Catarrhalishumans, respiratory infectionsAbd El Qader et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaHaemophilus Influenzaeblood cultureSPME/GC-MS No
BacteriaLegionella Pneumophilablood culture mediumSPME-GC-MSno
BacteriaMoraxella Catarrhalisblood culture mediumSPME-GC-MSno