Results for:
chemical Classification: amides

Acetamide

Mass-Spectra

Compound Details

Synonymous names
Methanecarboxamide
Essigsaeureamid
acetoamide
acetylamine
Ethanamide
acetamid
acetamide
Azetamid
DLFVBJFMPXGRIB-UHFFFAOYSA-N
Ethanamid
Acetimidic acid
Ethanimidic acid
N-Methylformamde
Acetamide, analytical standard
Amid kyseliny octove
CNM
Acetic acid amide
CH3CONH2
Acetamide (Ethanamide)
Amide C2
02U
AC1L18NI
AC1Q2B5A
CCRIS 2
8XOE1JSO29
ACMC-1AWJ5
Acetamide, >=98%
DSSTox_CID_5
GTPL4661
KSC353G6F
CHEMBL16081
UNII-8XOE1JSO29
A0007
A0210
Acetimidic acid (VAN)
CTK1A5953
CTK2F3362
WLN: ZV1
Acetamide, crystalline, >=99%
Amid kyseliny octove [Czech]
BIDD:ER0566
DB02736
LP00003
NSC25945
RL04274
STR01066
bmse000825
bmse000895
C06244
Ethanimidic acid (9CI)
HMS3260A07
HSDB 4006
Acetamide, sublimed, 99%
BT000100
DTXSID7020005
LS-1431
OR034200
OR293213
OR293214
STL283915
A 0500
A832706
CHEBI:27856
CHEBI:49028
NCI-C02108
ZINC8034818
4CN-0956
AB1002187
AK-97258
AN-23637
ANW-20374
Caswell No. 003H
DSSTox_GSID_20005
KB-47044
Lopac-A-0500
NSC 25945
NSC-25945
SC-18410
ST2412615
TRA0053610
DSSTox_RID_75317
MFCD00008023
AI3-02060
CCG-204099
LT00795814
RTR-037243
TR-037243
AKOS000118788
AKOS015917387
I14-9593
J-523678
Lopac0_000003
S14-1087
BRN 1071207
EU-0100003
FT-0603458
FT-0621721
FT-0621725
FT-0625737
MLS002153504
SMR000326670
60-35-5
Acetamide, ~99% (GC)
Acetamide, zone-refined, purified by sublimation, 99%
Tox21_300776
Tox21_500003
F1908-0077
Acetamide, 99% 250g
CAS-60-35-5
9015-82-1
MCULE-9280264861
NCGC00015030-01
NCGC00015030-02
NCGC00015030-03
NCGC00015030-04
NCGC00015030-05
NCGC00093530-01
NCGC00093530-02
NCGC00254680-01
NCGC00260688-01
Acetamide, >=98.0% (GC)
Acetamide, >=99.0% (GC)
EINECS 200-473-5
27595-75-1
Acetamide (6CI,7CI,8CI,9CI)
9745-EP2269990A1
9745-EP2275407A1
9745-EP2275469A1
9745-EP2287940A1
9745-EP2289890A1
9745-EP2289965A1
9745-EP2295402A2
9745-EP2295550A2
9745-EP2298744A2
9745-EP2298749A1
9745-EP2298761A1
9745-EP2298776A1
9745-EP2298777A2
9745-EP2298828A1
9745-EP2301918A1
9745-EP2301933A1
9745-EP2301983A1
9745-EP2305640A2
9745-EP2305648A1
9745-EP2305687A1
9745-EP2308872A1
9745-EP2308873A1
9745-EP2308880A1
9745-EP2311808A1
9745-EP2311827A1
9745-EP2311829A1
9745-EP2311842A2
9745-EP2314593A1
9745-EP2316829A1
9745-EP2316831A1
9745-EP2316834A1
MolPort-001-779-697
25464-EP2284166A1
25464-EP2314580A1
25704-EP2298729A1
25704-EP2315303A1
4-02-00-00399 (Beilstein Handbook Reference)
ACETAMIDE (SEE ALSO N-(4-FLUORENYL)ACETAMIDE 28322-02-3)
InChI=1/C2H5NO/c1-2(3)4/h1H3,(H2,3,4
IUPAC nameacetamide
SMILESCC(=O)N
InchiInChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
FormulaC2H5NO
PubChem ID178
Molweight59.068
LogP-1.03
Atoms9
Bonds8
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmides nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for acetamide is estimated as 2.0X10-9 atm-cu m/mole(SRC) derived from its vapor pressure, 0.018 mm Hg(1), and water solubility, 7.05E10+5 mg/L(2). This Henry's Law constant indicates that acetamide is expected to be essentially nonvolatile from water surfaces(3). Acetamide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Acetamide is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure. Evaporation of acetamide at 20 deg C is reported to be negligible(4).
Literature: (1) ECHA; Search for Chemicals. Acetamide (CAS 60-35-5) Registered Substances Dossier. European Chemical Agency. Available from, as of August 8, 2016: http://echa.europa.eu/ (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL, p. 35 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) CDC; International Chemical Safety Cards (ICSC) 2012. Atlanta, GA: Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health (NIOSH). Ed Info Div. Available from, as of August 9, 2016: http://www.cdc.gov/niosh/ipcs/default.html
Soil Adsorption
An experimental Koc of 5 has been reported for acetamide(1). According to a classification scheme(2), this Koc value suggests that acetamide is expected to have very high mobility in soil.
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (2006), Supporting Information. Available at, as of August 9, 2016: http://pubs.acs.org/doi/suppl/10.1021/es060152f (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0182 mm Hg at 25 deg C /OECD Guideline 104 (Vapor Pressure Curve)/ECHA; Search for Chemicals. Acetamide (CAS 60-35-5) Registered Substances Dossier. European Chemical Agency. Available from, as of August 8, 2016: http://echa.europa.eu/
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


N-(3-methylbutyl)acetamide

Mass-Spectra

Compound Details

Synonymous names
N-Isopentylacetamide
XWDCLPNMPBQWCW-UHFFFAOYSA-N
N-Isoamylacetamide
Isoamyl acetamide
AC1L40BF
B07X8XNE8T
AC1Q5P20
UNII-B07X8XNE8T
n-(iso-pentyl)acetamide
N-(3-Methylbutyl)acetamide
CTK0I3123
SCHEMBL800814
NSC156656
FR-0533
BC600079
OR037573
SBB007892
ZINC1583155
DTXSID10158662
AK-58238
AJ-27493
MFCD00043542
ZINC01583155
NSC 156656
NSC-156656
ST24048582
timtec-bb sbb007892
AI3-35871
n-(3-methyl-butyl)-acetamide
AKOS003799421
FT-0629187
Acetamide, N-(3-methylbutyl)-
N - (3 - Methylbutyl)acetamide
13434-12-3
IUPAC nameN-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)C
InchiInChI=1S/C7H15NO/c1-6(2)4-5-8-7(3)9/h6H,4-5H2,1-3H3,(H,8,9)
FormulaC7H15NO
PubChem ID98643
Molweight129.203
LogP0.8
Atoms24
Bonds23
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmides Ketones nitrogen compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiacan/an/a
BacteriaStreptomycesYPD agarGCxGC-TOFMSno
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a


N-(3-methylbutyl)formamide

Compound Details

Synonymous names
N-Isopentylformamide
WRWGCPXFAJKWDW-UHFFFAOYSA-N
N-isopentyl-formamide
AC1L5PLF
AC1Q6QUD
n-(3-methylbutyl)formamide
NSC77945
SCHEMBL269241
OR195202
NSC-77945
AKOS006348112
10285-87-7
IUPAC nameN-(3-methylbutyl)formamide
SMILESCC(C)CCNC=O
InchiInChI=1S/C6H13NO/c1-6(2)3-4-7-5-8/h5-6H,3-4H2,1-2H3,(H,7,8)
FormulaC6H13NO
PubChem ID254132
Molweight115.176
LogP0.76
Atoms21
Bonds20
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmides Aldehydes nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStigmatella Aurantiacan/aSchulz and Dickschat, 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStigmatella Aurantiacan/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a


Compound Details

Synonymous names
OWBAMKRGIUPCCJ-UHFFFAOYSA-N
AC1L8NDD
NSC254919
PL044398
LS-67668
NSC-254919
13131-19-6
1,4-Dihydro-2-methyl-1,4-ethenoisoquinolin-3(2H)-one
N-Methyl-1,4-dihydro-1,4-etheno-isoquinolin-3(2H)-one
1,4-Ethenoisoquinolin-3(2H)-one, 1,4-dihydro-2-methyl-
N-Methyl-9-aza-tricyclo[6.2.2.0(2,7)]dodec-2,4,6,11-tetraene-10-one
9-METHYL-9-AZATRICYCLO[6.2.2.0(2),?]DODECA-2(7),3,5,11-TETRAEN-10-ONE
IUPAC name
SMILESCN1C2C=CC(C1=O)C3=CC=CC=C23
InchiInChI=1S/C12H11NO/c1-13-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7,10-11H,1H3
FormulaC12H11NO
PubChem ID429398
Molweight185.226
LogP1.37
Atoms25
Bonds27
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides benzenoids isoquinolin nitrogen containing compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Strain D13LBSPME-GC-MSno


3,4-dimethyl-1H-quinolin-2-one

Compound Details

Synonymous names
OITTVGIRLCPSNN-UHFFFAOYSA-N
AC1Q6HXY
3,4-Dimethylcarbostyril
AC1L6JW4
Carbostyril,4-dimethyl-
CTK4D4612
2-Hydroxy-3,4-dimethylquinoline
SCHEMBL6220014
NSC108444
HE126977
ZINC8649176
DTXSID00296229
SCHEMBL13467803
Carbostyril, 3,4-dimethyl-
NSC-108444
AKOS022505169
AKOS030538264
3,4-dimethyl-quinolin-2-ol
2(1H)-Quinolinone,4-dimethyl-
3,4-dimethylquinolin-2(1h)-one
3,4-dimethyl-1H-quinolin-2-one
17336-90-2
3,4-Dimethyl-2(1H)-quinolinone #
2(1H)-Quinolinone, 3,4-dimethyl-
IUPAC name3,4-dimethyl-1H-quinolin-2-one
SMILESCC1=C(C(=O)NC2=CC=CC=C12)C
InchiInChI=1S/C11H11NO/c1-7-8(2)11(13)12-10-6-4-3-5-9(7)10/h3-6H,1-2H3,(H,12,13)
FormulaC11H11NO
PubChem ID268261
Molweight173.215
LogP2.29
Atoms24
Bonds25
H-bond Acceptor1
H-bond Donor1
Chemical Classificationnitrogen compounds benzenoids amides pyridines

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fluorescens ALEB7Bnafrom geo-authentic Atractylodes lanceaZhou et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST


2-phenylacetamide

Mass-Spectra

Compound Details

Synonymous names
Benzeneacetamide
Phenylacetamide
alpha-Phenylacetamide
alpha-toluimidicacid
benzene-acetamide
LSBDFXRDZJMBSC-UHFFFAOYSA-N
phenyl acetamide
alpha-Toluamide
Phenyl-beta-acetylamine
beta-Phenyl-acetylamine
Phenylacetic acid amide
alpha-Toluimidic acid
2-PHENYLACETAMIDE
AC1Q4ZKY
.alpha.-Phenylacetamide
2-phenyl-Acetamide
2-phenyl-acetamid
AC1L1PB9
.alpha.-Toluamide
AC1Q5J76
KSC177K0L
Phenyl-.beta.-acetylamine
Acetamide, 2-phenyl
PubChem13418
NSC1877
SCHEMBL25676
.alpha.-Toluimidic acid
CTK0H7505
P0120
5R219M9TJF
HMDB10715
2-Phenylacetamide(alpha-)
(-)-benzeneacetamide
(alpha-)2-Phenylacetamide
(+)-benzeneacetamide
CHEMBL347645
LS11701
RP20210
ACT04844
UNII-5R219M9TJF
ZINC394644
C02505
NSC 1877
ZB012401
DTXSID1059282
NSC-1877
OR009770
SBB017634
Jsp000387
Acetamide, 2-phenyl-
M-5023
ACMC-20989e
CHEBI:16562
AC-24581
AJ-21405
SC-19149
CJ-03622
ST2410197
AK-45803
ANW-14976
LS-10119
BR-45803
KB-25916
MFCD00059193
ZINC00394644
GNF-PF-1199
DB-021492
AI3-19421
TR-000884
ST50409801
RTR-000884
(+/-)-benzeneacetamide
Z33546508
Q-200316
I01-1991
AKOS001215073
FT-0613318
F1084-0941
103-81-1
4463-20-1
MCULE-8226590608
EINECS 203-147-0
MolPort-000-158-181
97240-EP2289892A1
97240-EP2305688A1
46AFC744-1FF7-4816-B1C1-7C9995F369E8
InChI=1/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10
IUPAC name2-phenylacetamide
SMILESC1=CC=C(C=C1)CC(=O)N
InchiInChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
FormulaC8H9NO
PubChem ID7680
Molweight135.166
LogP0.8
Atoms19
Bonds19
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides benzenoids

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens FZB42Agriculture University of Nanjing, ChinaTahir et al. 2024
BacteriaBacillus Artrophaeus LSSC22Agriculture University of Nanjing, ChinaTahir et al. 2037
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens FZB42LBSPME-GC-MSno
BacteriaBacillus Artrophaeus LSSC22LBSPME-GC-MSno


Azepan-2-one

Mass-Spectra

Compound Details

Synonymous names
Cyclohexanoneisooxime
Caprolattame
Hexanolactam
Hexanolactame
Hexanonisoxim
2-Ketohexamethyleneimine
Aminocaproic lactam
CAPROLACTAM
Caprolactam monomer
Caprolactam solution
Cyclohexanoneisooxime;E-Caprolactam; Epsilon-caprolactam
epsilon caprolactam
epsilon-Caprolactam
Epsylon kaprolaktam
Kaprolaktam
2-Ketohexamethylenimine
2-Oxohexamethyleneimine
2-Oxohexamethylenimine
gamma-caprolactam
JBKVHLHDHHXQEQ-UHFFFAOYSA-N
Kapromine
omega-caprolactum
Hexanone isoxime
Steelon
Stilon
Stylon
2-Azacycloheptanone
2-Azacycloheptanonm
2-Perhydroazepinone
Cyclohexanone iso-oxime
E-Caprolactam
E-caprolactum
e-Kaprolaktam
epsilon-Caprolactam, analytical standard
hexannic acid
U-Caprolactam
ICC
6-Hexanelactam
6-hexanolactam
6-Caprolactam
azacycloheptane-2-one
azaperhydroepin-2-one
Caprolactam dust and vapor
Hexahydro-2-azepinone
Hexahydro-2-azepinonm
hexahydroazepin-2-one
2-Azepanone
Aza-2-cycloheptanone
azacycloheptan-2-one
Capron PK4
hexannic acid
Perhydroazepin-2-one
.epsilon.-Caprolactam
6-Aminocaproic acid lactam
6-Aminohexanoic acid lactam
Caprolattame [French]
Extrom 6m
Extrom 6N
Hexanoic acid, lactam
Hexanonisoxim [German]
.omega.-Caprolactam
6-Aminohexanoic acid cyclic lactam
AC1L1PI6
cis-Hexahydro-2-azepinone
Epsylon kaprolaktam [Polish]
hexano-6-lactam
Hexanoic acid, cyclic lactam
2-Azepanone #
PA 6
Polyamide pk 4
azepan-2-one
WLN: T7MVTJ
1,6-Hexalactam
1,6-Hexolactam
6-amino-hexanoic acid lactam
epsilon-Caprolactam, 99%
hexanoic acid-6-amino-lactam
NSC4977
SCHEMBL19610
ZLD0682
1-Aza-2-cycloheptanone
1-Aza-2-cycloheptanonm
c0432
Capron PK4, Cyclohexanone iso-oximm
CCRIS 119
CTK4H3192
e-Kaprolaktam [Czech]
Hexamethylenimine, 2-oxo-
HSDB 187
T7289
Tarnamid T 27
Capron 8257
CHEMBL276218
LS-390
NSC25536
RP19105
STR02412
zlchem 1213
A23500
ATM 2(NYLON)
bmse000372
C06593
DSSTox_CID_240
2H-azepin-7-one,hexahydro
6- amino-hexanoic acid lactam
AM802872
BBL002914
DTXSID4020240
HE027245
HE261289
HE261357
HE261358
Hexahydro-2H-azepin-2-one
hexanoic acid-6-amino-,lactam
Jsp000525
NSC-4977
NSC117393
SBB058658
STK378587
CHEBI:28579
NCI-C50646
ZINC5133576
AB1002538
AJ-53240
AK-44925
AN-21201
ANW-66478
DSSTox_GSID_20240
KB-50549
LS-22987
NSC-25536
TRA0035571
BB_SC-6656
DSSTox_RID_75454
MFCD00006936
MFCD19226350
ZINC05133576
6879X594Z8
AI3-14515
DB-003880
DB-032192
NSC 117393
NSC-117393
RTR-001168
ST24030093
ST50308104
TR-001168
AKOS000119969
I14-2683
J-510225
BRN 0106934
FT-0623443
FT-0625676
HEXANOIC ACID,6-AMINO,LACTAM E-CAPROLACTAM
UNII-6879X594Z8
2H-Azepin-2-one, hexahydro-
2H-Azepin-7-one, hexahydro-
Hexahydro-2H-azepin-2-one (9CIm
Hexanoic acid, 6-amino-, lactam
Tox21_202202
Tox21_300163
105-60-2
epsilon-Caprolactam, 99% 100g
F0001-0110
Hexanoic acid, 6-amino-, cyclic lactam
2H-Azepin-2-one, hexahydro-, homopolymer
2953-03-9
2H-Azepin-2-one, hexahydro-, polyamides
9012-16-2
MCULE-4544579564
NCGC00247913-01
NCGC00247913-02
NCGC00253933-01
NCGC00259751-01
CAS-105-60-2
EINECS 203-313-2
32838-21-4
32838-23-6
34876-18-1
Hexahydro-2H-azepin-2-one (9CI)
117955-36-9
168214-28-6
MolPort-001-787-907
1H-AZEPIN-1-YL, HEXAHYDRO-2-OXO-
2-Azepinone, hexahydro-, (Z)-
77345-EP2279741A2
77345-EP2292599A1
77345-EP2301919A1
77345-EP2308831A1
77345-EP2377846A1
5-21-06-00444 (Beilstein Handbook Reference)
InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8
IUPAC nameazepan-2-one
SMILESC1CCC(=O)NCC1
InchiInChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
FormulaC6H11NO
PubChem ID7768
Molweight113.16
LogP0.31
Atoms19
Bonds19
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides

mVOC Specific Details

Volatilization
The Henry's Law constant for caprolactam is estimated as 5.4X10-11 atm-cu m/mole(SRC), calculated from its vapor pressure, 1.9X10-3 mm Hg at 25 deg C(1), and water solubility, 5.25X10+6 mg/l(2). This Henry's Law constant indicates that caprolactam is expected to be essentially nonvolatile from water surfaces(3). Caprolactam's estimated Henry's Law constant indicates that volatilization from moist soil surfaces will not occur(SRC). Caprolactam is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Jones AM; J Chem Eng Data 5: 196-200 (1960) (2) Loewengart G; pp. 36-52 in Proc Symp Ind Approach Chem Risk Assess: Caprolactam Relat Compd Case Study, Arlington, VA: Marriott-Crystal Gateway (1984) (2) Duke SO; Rev. Weed Sci 2:15-44 (1986) (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
Using a structure estimation method based on molecular connectivity indices(1), the Koc for caprolactam is estimated to be 57(SRC). According to a classification scheme(2), this estimated Koc value suggests that caprolactam is expected to have high mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.9X10-3 mm Hg at 25 deg CJones AH; J Chem Eng Data 5: 196-200 (1960)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStenotrophomonas MaltophiliaclinicPreti., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no


Formamide

Mass-Spectra

Compound Details

Synonymous names
Ameisensaeureamid
carbamaldehyde
Methanamid
Methanamide
METHONAMINE
Carbamaldehyde, Methanamide
formamid
formamide
Formamide, Spectrophotometric Grade
Methanimidic acid
ZHNUHDYFZUAESO-UHFFFAOYSA-N
Formimidic acid
imidoformic acid
Amid kyseliny mravenci
Formic amide
HCONH2
MB8
FORMAMIDE, ACS
N-formyl amine
Amide C1
Formamide, ACS reagent
FORMAMIDE, ULTRA PURE
Methanoic acid, amide
AC1L19UT
ACMC-1BIX7
Formic acid, amide
NSC748
WLN: ZVH
AC1Q50F9
GTPL4739
HSDB 88
KSC379A6T
Formamide, spectrophotometric grade, >=99%
Amid kyseliny mravenci [Czech]
CTK2F1420
CTK2H9069
F0045
HMDB01536
CHEMBL266160
NSC 748
NSC-748
bmse000267
C00488
CCRIS 6240
LTBB002179
DTXSID8025337
LS-1656
OR025011
OR034686
OR079739
OR245339
OR252964
OR254329
A838330
CHEBI:16397
CHEBI:48431
DSSTox_CID_5337
Formamide, >=99.0%
Formamide, >=99.5%
4781T907ZS
AN-23839
ANW-13591
DSSTox_GSID_25337
Formamide, reagent grade, 98%
KB-52170
SC-46172
DSSTox_RID_77755
MFCD00007941
AI3-15357
C1 o pound degrees .
DB-055937
RTR-037669
TR-037669
UNII-4781T907ZS
AKOS009031608
I05-0381
J-521386
METHANIMIDIC ACID, (Z)-
FT-0083173
FT-0603514
FT-0631311
FT-0637321
75-12-7
METHYL, AMINOOXO- (9CI)
Formamide, ACS reagent, >=99.5%
Tox21_201942
Tox21_302824
F0001-1892
CAS-75-12-7
Formamide, 99% 500g
Formamide, JIS special grade, >=98.5%
Formamide, BioXtra, >=99% (GC)
Formamide, SAJ first grade, >=98.5%
Formamide, Vetec(TM) reagent grade, 98%
MCULE-4202420620
NCGC00091516-01
NCGC00091516-02
NCGC00256321-01
NCGC00259491-01
EINECS 200-842-0
23296-41-5
60100-09-6
MolPort-000-871-972
1156543-55-3
1158234-15-1
Formamide, p.a., 99.5%
Formamide, >=99.5% (GC), BioReagent, for molecular biology
Formamide, ReagentPlus(R), >=99.0% (GC)
degrees +/->>u(1/4)xE(c)
Formamide, BioUltra, for molecular biology, >=99.5% (T)
Formamide, for molecular biology, >=99.5% (GC), liquid
Formamide, p.a., ACS reagent, 99.5%
InChI=1/CH3NO/c2-1-3/h1H,(H2,2,3
Formamide, puriss. p.a., ACS reagent, >=99.5% (GC/T)
Formamide solution, NMR reference standard, 45% in DMSO-d6 (99.9 atom % D), NMR tube size 3 mm x 8 in.
Formamide solution, NMR reference standard, 45% in DMSO-d6 (99.9 atom % D), NMR tube size 5 mm x 8 in.
Formamide solution, NMR reference standard, 90% in DMSO-d6 (99.9 atom % D), NMR tube size 3 mm x 8 in.
Formamide solution, NMR reference standard, 90% in DMSO-d6 (99.9 atom % D), NMR tube size 5 mm x 8 in.
Formamide solution, NMR reference standard, 90% in DMSO-d6 (99.9 atom % D), NMR tube size 10 mm x 8 in.
IUPAC nameformamide
SMILESC(=O)N
InchiInChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
FormulaCH3NO
PubChem ID713
Molweight45.041
LogP-1.08
Atoms6
Bonds5
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmides nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for formamide is estimated as 1.4X10-9 atm-cu m/mole(SRC) based upon its vapor pressure, 6.1X10-2 mm Hg(1), and water solubility, 1.0X10+6 mg/l(2). This Henry's Law constant indicates that formamide is expected to be essentially nonvolatile from water surfaces(3). Formamide is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.1X10-2 mm Hg(1).
Literature: (1) 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 (1989) (2) Eberling CL; Kirk-Othmer Encycl Chem Tech 3rd ed NY, NY: Wiley Interscience 11: 258-63 (1980) (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 formamide is 3.6(1). According to a classification scheme(2), this Koc value suggests that formamide is expected to have very high mobility in soil(SRC).
Literature: (1) Verschueren K; Handbook of Environmental Data on Organic Chemicals. 4th ed. NY, NY: John Wiley and Sons 1: 1175 (2001) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
6.10X10-2 mm Hg @ 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
BacteriaPseudomonas Fluorescens ALEB7Bpromotes growth of non-infected Atractylodes lanceafrom geo-authentic Atractylodes lanceaZhou et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST


N-butan-2-ylformamide

Compound Details

Synonymous names
sec-butylformamide
N-sec-Butylformamide
N-sec-butyl-formamide
AC1L84QM
N-butan-2-ylformamide
SCHEMBL25180
N-(SEC-BUTYL)FORMAMIDE
N-(2-Butyl)formamide
Formamide, N-sec-butyl-
NSC404523
OR035756
OR280767
OR301451
DTXSID00323645
N-(butan-2-yl)formamide
NSC-404523
AKOS006274294
FORMAMIDE,N- (1-METHYLPROPYL)-
Formamide, N-(1-methylpropyl)-
MCULE-2197007756
53798-89-3
FORMAMIDE, N-(1-METHYLPROPYL)-, (S)-
IUPAC nameN-butan-2-ylformamide
SMILESCCC(C)NC=O
InchiInChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)
FormulaC5H11NO
PubChem ID346326
Molweight101.149
LogP0.44
Atoms18
Bonds17
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmides nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiMuscodor CrispansWild pineapple plant, Ananas ananassoidesMitchell et al., 2010
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiMuscodor Crispanspotato dextrose agarSPME-GC-MSYes


N,2-dimethyl-N-nitrosopropanamide

Compound Details

Synonymous names
N-methyl-N-nitrosoisobutyramide
SCHEMBL103668
1255641-06-5
IUPAC nameN,2-dimethyl-N-nitrosopropanamide
SMILESCC(C)C(=O)N(C)N=O
InchiInChI=1S/C5H10N2O2/c1-4(2)5(8)7(3)6-9/h4H,1-3H3
FormulaC5H10N2O2
PubChem ID49765109
Molweight130.147
LogP1.05
Atoms19
Bonds18
H-bond Acceptor2
H-bond Donor0
Chemical Classificationamides nitrogen compounds nitroso compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiMuscodor Albus CZ-620antimicrobial activity by DNA methylationrainforests Peru and EcuadorHutchings et al. 2017
FungiMuscodor Crispans B-23antimicrobial activity by DNA methylationrainforests Peru and EcuadorHutchings et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiMuscodor Albus CZ-620PDASPME-GC-MSyes
FungiMuscodor Crispans B-23PDASPME-GC-MSyes


N,N-dimethyloctanamide

Mass-Spectra

Compound Details

Synonymous names
NN-Dimethylcaprylamide
NN-Dimethyloctanamide
VHRUBWHAOUIMDW-UHFFFAOYSA-N
N,N-Dimethylcaprylamide
N,N-Dimethyloctanamide
QO63R4XJMK
AC1L23ET
UNII-QO63R4XJMK
2111AA
CTK0I0925
SCHEMBL168214
OCTANAMIDE, N,N-DIMETHYL-
DTXSID9027364
LP004720
FR-0709
CHEMBL3181960
SBB007989
DSSTox_CID_7364
ZINC2039897
A802439
AN-48558
DSSTox_GSID_27364
ANW-57413
AK-87625
ACM1118929
LS-97815
ZX-RL005884
MFCD00043763
C-49120
DSSTox_RID_78425
AI3-26660
TR-002329
DB-080742
I14-6844
W-109644
AKOS006228697
I14-2801
FT-0655213
FT-0655393
BRN 1754903
Tox21_301930
NCGC00255366-01
MCULE-6939177208
1118-92-9
EINECS 214-272-5
CAS-1118-92-9
MolPort-002-501-729
IUPAC nameN,N-dimethyloctanamide
SMILESCCCCCCCC(=O)N(C)C
InchiInChI=1S/C10H21NO/c1-4-5-6-7-8-9-10(12)11(2)3/h4-9H2,1-3H3
FormulaC10H21NO
PubChem ID14240
Molweight171.284
LogP2.34
Atoms33
Bonds32
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Strain D13antibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Strain D13LBSPME-GC-MSno


N,N-dimethylformamide

Mass-Spectra

Compound Details

Synonymous names
dimehtylformarnide
dimethylformarnide
dimethylforrnamide
dirnethylformamide
dirnethylformarnide
Formyldimethylamine
dimethyiformamide
Dimethylforamide
Dimethylformamid
Dimethylformamide
Dimetilformamide
dimetylformamide
Dimetylformamidu
Dwumetyloformamid
dimethy1formamide
Dimethylamid kyseliny mravenci
N-Formyldimethylamine
di-methylformamide
Dimethyl formamide
dimethyl-Formamide
dimethylf ormamide
dimethylform amide
dimethylform-amide
dimethylformamid e
Dimethylformamide Reagent Grade ACS
dimethylformamide-
ZMXDDKWLCZADIW-UHFFFAOYSA-N
N,N-Dimethylformaldehyde
Dimethylformamide, DMF
DMFA
N,N-dimethylformarnide
N,N-dimethylforrnamide
N,N-Dimethylmethanamide
N,N-dirnethylformamide
N,N'-Dimethylformamide
DMF
N,N Dimethylformamide
N,N-Dimethylformamid
N,N-DIMETHYLFORMAMIDE
N,N-Dimethylformamide, Spectrophotometric Grade
N,N-Dimetilformamida
N,N-dimetylformamide
n,n,dimethylformamide
N.N-dimethylformamide
dimethyl form-amide
dimethyl- formamide
dimethylfor- mamide
1N,N-dimethylformamide
Dimethylformamid [German]
Dimethylformamide, pharmaceutical secondary standard; traceable to USP
Dimetilformamide [Italian]
Dwumetyloformamid [Polish]
Dimetylformamidu [Czech]
DMF (dimethylformamide)
N,N-di-methylforrnamide
N,N-Dimethylformamide HPLC grade
N,N-Dimethylformamide, analytical standard
N,N-Dimethylformamide, anhydrous
Formamide,N-dimethyl-
N, N dimethylformamide
N, N-dimethylformamide
N,N -dimethylformamide
N,N dimethyl formamide
N,N- Dimethylformamide
N,N-di methylformamide
N,N-di-methylformamide
N,N-dime-thylformamide
N,N-dimehtyl formamide
N,N-dimethyl formamid
N,N-Dimethyl formamide
n,n-dimethyl-Formamide
N,N-dimethylfor mamide
N,N-dimethylfor-mamide
N,N-dimethylform-amide
N,N-dimethylformamide-
N,N-dimetyl formamide
AC1L1M2O
Dimethylamid kyseliny mravenci [Czech]
formamide, dimethyl-
N,N-DIMETHYLFORMAMIDE, ACS
AC1Q3W44
HSDB 78
K124
KSC352S1B
N,N-Dimethylformamide, HPLC Grade
Dimethylformamide, N,N-
N, N- dimethylformamide
N, N-di-methylformamide
N, N-dimethyl formamide
N,N- dimethyl formamide
N,N-di-methyl formamide
N,N-di-methyl-formamide
N,N-dimethyl- formamide
N,N-Dimethylformamide, ACS grade
NSC5356
PubChem23341
UN2265
CTK2F2910
D0722
D0939
DMF (amide)
FORMIN ACID,AMIDE,N,N-DIMETHYL
HMDB01888
N,N-Dimetilformamida [Spanish]
BIDD:ER0600
CHEMBL268291
DB01844
DIMETHYLFORMAMIDE 99% (PEPTIDE GRADE)
DMF-d7; Heptadeutero-N,N-dimethylformamide
HCON(CH3)2
RL04602
RP18321
WLN: VHN1&1
8696NH0Y2X
bmse000709
C03134
CCRIS 1638
Dimethyl formamide-Formamide, N,N-dimethyl-
DSSTox_CID_515
LTBB002011
N,N-Dimethylformamide, anhydrous, amine free
ZINC901648
BC206707
Dimethylformamide, n,n- Reagent Grade ACS
DTXSID6020515
Formamide, N,N-dimethyl-
LS-1577
NSC 5356
NSC-5356
OR000145
OR326828
STL264197
UN 2265
ZB015299
300076X
A836012
ACMC-20976q
CHEBI:17741
NCI-C60913
U-4224
UNII-8696NH0Y2X
AB1007264
AN-23775
ANW-13584
Caswell No. 366A
CJ-04552
DSSTox_GSID_20515
EBD2222506
SC-18318
DSSTox_RID_75636
MFCD00003284
ZINC00901648
AI3-03311
RTR-037473
TR-037473
AKOS000121096
EPA Pesticide Chemical Code 366200
I14-0843
N,N-Dimethylformamide, 99.8%
N,N-Dimethylformamide, for molecular biology, >=99%
N,N-Dimethylformamide, LR, >=99%
FT-0629532
FT-0639029
68-12-2
Dynasolve 100 (Salt/Mix)
N,N-Dimethylformamide, ACS spectrophotometric grade, >=99.8%
N,N-Dimethylformamide, ReagentPlus(R), >=99%
Tox21_201259
Tox21_300039
Formic acid, amide, N,N-dimethyl-
N,N-Dimethylformamide, anhydrous, 99.8%
CAS-68-12-2
MCULE-6290117712
N,N-Dimethylformamide, ACS reagent, >=99.8%
N,N-Dimethylformamide, AR, >=99.5%
NCGC00090785-01
NCGC00090785-02
NCGC00090785-03
NCGC00090785-04
NCGC00090785-05
NCGC00254093-01
NCGC00258811-01
EINECS 200-679-5
N,N-Dimethylformamide, 99% 250ml
N,N-Dimethylformamide, B&J Brand (product of Burdick & Jackson)
N,N-Dimethylformamide, UV HPLC spectroscopic, 99.7%
15175-63-0
15175-77-6
33513-42-7
N,N-Dimethylformamide, for HPLC, >=99.5%
N,N-Dimethylformamide, for HPLC, >=99.9%
N,N-Dimethylformamide, JIS special grade, >=99.5%
191-EP1441224A2
191-EP2269610A2
191-EP2269975A2
191-EP2269977A2
191-EP2269978A2
191-EP2269979A1
191-EP2269985A2
191-EP2269988A2
191-EP2269989A1
191-EP2269990A1
191-EP2269991A2
191-EP2269992A1
191-EP2269993A1
191-EP2269994A1
191-EP2269997A2
191-EP2270001A1
191-EP2270003A1
191-EP2270004A1
191-EP2270005A1
191-EP2270006A1
191-EP2270008A1
191-EP2270009A1
191-EP2270010A1
191-EP2270011A1
191-EP2270012A1
191-EP2270013A1
191-EP2270014A1
191-EP2270015A1
191-EP2270018A1
191-EP2272509A1
191-EP2272516A2
191-EP2272517A1
191-EP2272537A2
191-EP2272813A2
191-EP2272822A1
191-EP2272825A2
191-EP2272826A1
191-EP2272827A1
191-EP2272828A1
191-EP2272832A1
191-EP2272834A1
191-EP2272835A1
191-EP2272838A1
191-EP2272839A1
191-EP2272840A1
191-EP2272841A1
191-EP2272843A1
191-EP2272845A2
191-EP2272848A1
191-EP2272972A1
191-EP2272973A1
191-EP2274983A1
191-EP2275102A1
191-EP2275105A1
191-EP2275401A1
191-EP2275409A1
191-EP2275410A1
191-EP2275411A2
191-EP2275412A1
191-EP2275413A1
191-EP2275414A1
191-EP2275415A2
191-EP2275416A1
191-EP2275420A1
191-EP2275422A1
191-EP2275423A1
191-EP2275425A1
191-EP2275469A1
191-EP2277848A1
191-EP2277858A1
191-EP2277861A1
191-EP2277865A1
191-EP2277866A1
191-EP2277867A2
191-EP2277868A1
191-EP2277869A1
191-EP2277870A1
191-EP2277872A1
191-EP2277874A1
191-EP2277875A2
191-EP2277877A1
191-EP2277878A1
191-EP2277882A1
191-EP2277945A1
191-EP2279741A2
191-EP2279750A1
191-EP2280001A1
191-EP2280003A2
191-EP2280006A1
191-EP2280008A2
191-EP2280009A1
191-EP2280010A2
191-EP2280012A2
191-EP2280014A2
191-EP2281563A1
191-EP2281810A1
191-EP2281812A1
191-EP2281813A1
191-EP2281815A1
191-EP2281819A1
191-EP2281822A1
191-EP2281823A2
191-EP2281861A2
191-EP2284148A1
191-EP2284149A1
191-EP2284150A2
191-EP2284151A2
191-EP2284152A2
191-EP2284153A2
191-EP2284154A1
191-EP2284155A2
191-EP2284156A2
191-EP2284157A1
191-EP2284160A1
191-EP2284164A2
191-EP2284166A1
191-EP2284169A1
191-EP2284171A1
191-EP2284172A1
191-EP2284174A1
191-EP2284178A2
191-EP2284179A2
191-EP2286811A1
191-EP2286812A1
191-EP2286915A2
191-EP2287140A2
191-EP2287148A2
191-EP2287150A2
191-EP2287156A1
191-EP2287161A1
191-EP2287162A1
191-EP2287164A1
191-EP2287165A2
191-EP2287166A2
191-EP2287167A1
191-EP2287168A2
191-EP2289483A1
191-EP2289510A1
191-EP2289871A1
191-EP2289876A1
191-EP2289881A1
191-EP2289883A1
191-EP2289886A1
191-EP2289890A1
191-EP2289891A2
191-EP2289892A1
191-EP2289893A1
191-EP2289894A2
191-EP2292088A1
191-EP2292228A1
191-EP2292589A1
191-EP2292590A2
191-EP2292593A2
191-EP2292595A1
191-EP2292597A1
191-EP2292606A1
191-EP2292611A1
191-EP2292613A1
191-EP2292615A1
191-EP2292617A1
191-EP2292619A1
191-EP2292620A2
191-EP2292621A1
191-EP2292625A1
191-EP2292628A2
191-EP2295053A1
191-EP2295401A2
191-EP2295402A2
191-EP2295406A1
191-EP2295407A1
191-EP2295409A1
191-EP2295410A1
191-EP2295411A1
191-EP2295412A1
191-EP2295413A1
191-EP2295414A1
191-EP2295415A1
191-EP2295416A2
191-EP2295417A1
191-EP2295418A1
191-EP2295419A2
191-EP2295426A1
191-EP2295427A1
191-EP2295428A2
191-EP2295429A1
191-EP2295432A1
191-EP2295433A2
191-EP2295434A2
191-EP2295435A1
191-EP2295437A1
191-EP2295439A1
191-EP2295503A1
191-EP2298312A1
191-EP2298728A1
191-EP2298731A1
191-EP2298734A2
191-EP2298735A1
191-EP2298736A1
191-EP2298742A1
191-EP2298743A1
191-EP2298744A2
191-EP2298745A1
191-EP2298747A1
191-EP2298748A2
191-EP2298749A1
191-EP2298750A1
191-EP2298755A1
191-EP2298758A1
191-EP2298759A1
191-EP2298761A1
191-EP2298762A2
191-EP2298764A1
191-EP2298765A1
191-EP2298768A1
191-EP2298770A1
191-EP2298774A1
191-EP2298775A1
191-EP2298776A1
191-EP2298779A1
191-EP2298780A1
191-EP2298783A1
191-EP2301534A1
191-EP2301536A1
191-EP2301538A1
191-EP2301544A1
191-EP2301909A1
191-EP2301912A2
191-EP2301916A2
191-EP2301918A1
191-EP2301921A1
191-EP2301922A1
191-EP2301923A1
191-EP2301925A1
191-EP2301926A1
191-EP2301928A1
191-EP2301929A1
191-EP2301930A1
191-EP2301931A1
191-EP2301932A1
191-EP2301933A1
191-EP2301935A1
191-EP2301936A1
191-EP2301937A1
191-EP2301939A1
191-EP2301940A1
191-EP2301983A1
191-EP2305250A1
191-EP2305254A1
191-EP2305627A1
191-EP2305636A1
191-EP2305637A2
191-EP2305640A2
191-EP2305641A1
191-EP2305643A1
191-EP2305644A1
191-EP2305647A1
191-EP2305648A1
191-EP2305652A2
191-EP2305658A1
191-EP2305659A1
191-EP2305660A1
191-EP2305664A1
191-EP2305666A1
191-EP2305667A2
191-EP2305668A1
191-EP2305671A1
191-EP2305672A1
191-EP2305674A1
191-EP2305675A1
191-EP2305676A1
191-EP2305677A1
191-EP2305679A1
191-EP2305681A1
191-EP2305682A1
191-EP2305684A1
191-EP2305687A1
191-EP2305688A1
191-EP2305689A1
191-EP2305695A2
191-EP2305696A2
191-EP2305697A2
191-EP2305698A2
191-EP2305769A2
191-EP2305808A1
191-EP2308479A2
191-EP2308812A2
191-EP2308832A1
191-EP2308833A2
191-EP2308838A1
191-EP2308840A1
191-EP2308841A2
191-EP2308844A2
191-EP2308845A2
191-EP2308846A2
191-EP2308848A1
191-EP2308849A1
191-EP2308851A1
191-EP2308855A1
191-EP2308857A1
191-EP2308861A1
191-EP2308866A1
191-EP2308867A2
191-EP2308869A1
191-EP2308870A2
191-EP2308872A1
191-EP2308873A1
191-EP2308874A1
191-EP2308875A1
191-EP2308876A1
191-EP2308879A1
191-EP2308880A1
191-EP2308882A1
191-EP2308883A1
191-EP2308960A1
191-EP2311451A1
191-EP2311455A1
191-EP2311464A1
191-EP2311494A1
191-EP2311796A1
191-EP2311797A1
191-EP2311798A1
191-EP2311799A1
191-EP2311805A1
191-EP2311806A2
191-EP2311807A1
191-EP2311808A1
191-EP2311810A1
191-EP2311815A1
191-EP2311818A1
191-EP2311824A1
191-EP2311825A1
191-EP2311826A2
191-EP2311827A1
191-EP2311829A1
191-EP2311830A1
191-EP2311831A1
191-EP2311837A1
191-EP2311838A1
191-EP2311840A1
191-EP2311842A2
191-EP2311850A1
191-EP2314295A1
191-EP2314575A1
191-EP2314576A1
191-EP2314577A1
191-EP2314580A1
191-EP2314581A1
191-EP2314582A1
191-EP2314583A1
191-EP2314584A1
191-EP2314586A1
191-EP2314590A1
191-EP2314593A1
191-EP2315303A1
191-EP2315502A1
191-EP2316450A1
191-EP2316452A1
191-EP2316457A1
191-EP2316458A1
191-EP2316470A2
191-EP2316824A1
191-EP2316825A1
191-EP2316827A1
191-EP2316828A1
191-EP2316829A1
191-EP2316830A2
191-EP2316831A1
191-EP2316832A1
191-EP2316833A1
191-EP2316834A1
191-EP2316835A1
191-EP2316836A1
191-EP2316905A1
191-EP2316906A2
191-EP2371797A1
191-EP2371798A1
191-EP2371800A1
191-EP2371804A1
191-EP2371808A1
191-EP2371812A1
191-EP2371814A1
191-EP2374454A1
191-EP2374790A1
191-EP2374791A1
191-EP2374895A1
191-EP2380873A1
192-EP2275418A1
192-EP2275420A1
192-EP2277565A2
192-EP2277566A2
192-EP2277567A1
192-EP2277568A2
192-EP2277569A2
192-EP2277570A2
192-EP2277875A2
192-EP2277945A1
192-EP2279741A2
192-EP2280008A2
192-EP2280012A2
192-EP2281815A1
192-EP2284172A1
192-EP2286811A1
192-EP2289894A2
192-EP2292280A1
192-EP2292600A1
192-EP2292624A1
192-EP2292628A2
192-EP2295055A2
192-EP2295408A1
192-EP2295416A2
192-EP2295426A1
192-EP2295427A1
192-EP2295437A1
192-EP2298738A1
192-EP2298743A1
192-EP2298748A2
192-EP2298770A1
192-EP2298775A1
192-EP2298776A1
192-EP2301911A1
192-EP2301924A1
192-EP2301926A1
192-EP2305250A1
192-EP2305642A2
192-EP2305658A1
192-EP2305667A2
192-EP2308479A2
192-EP2308833A2
192-EP2308842A1
192-EP2308874A1
192-EP2311453A1
192-EP2311815A1
192-EP2311818A1
192-EP2311820A1
192-EP2314295A1
192-EP2314581A1
192-EP2380874A2
EC 200-679-5
N,N-Dimethylformamide, biotech. grade, >=99.9%
N,N-Dimethylformamide, SAJ first grade, >=99.0%
114057-15-7
N,N-Dimethylformamide [UN2265] [Flammable liquid]
MolPort-000-871-967
N,N-Dimethylformamide, AldraSORB(TM), 99.8%
14869-EP2272846A1
14869-EP2277868A1
14869-EP2277869A1
14869-EP2277870A1
14869-EP2284178A2
14869-EP2284179A2
14869-EP2287164A1
14869-EP2292608A1
14869-EP2298305A1
14869-EP2305033A1
14869-EP2308866A1
14869-EP2308878A2
14869-EP2314580A1
14869-EP2316830A2
70936-EP2269990A1
70936-EP2277945A1
70936-EP2281815A1
70936-EP2295425A1
70936-EP2295426A1
70936-EP2295427A1
70936-EP2298743A1
70936-EP2308833A2
70936-EP2374788A1
N,N-Dimethylformamide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~99%
N,N-Dimethylformamide [UN2265] [Flammable liquid]
N,N-Dimethylformamide, p.a., 99.8%
N,N-Dimethylformamide, Vetec(TM) reagent grade, anhydrous, >=99.8%
N,N-Dimethylformamide HPLC, UV-IR min. 99.9%, isocratic grade
N,N-Dimethylformamide, p.a., ACS reagent, 99.8%
InChI=1/C3H7NO/c1-4(2)3-5/h3H,1-2H
N,N-Dimethylformamide, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.8%
N,N-Dimethylformamide, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.8% (GC)
IUPAC nameN,N-dimethylformamide
SMILESCN(C)C=O
InchiInChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
FormulaC3H7NO
PubChem ID6228
Molweight73.095
LogP-0.63
Atoms12
Bonds11
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for N,N-dimethylformamide is reported as 7.39X10-8 atm-cu m/mole(1). This Henry's Law constant indicates that N,N-dimethylformamide is expected to be essentially nonvolatile from moist soil and water surfaces(2). The potential for volatilization of N,N-dimethylformamide from dry soil surfaces may exist based upon a vapor pressure of 3.87 mm Hg(3).
Literature: (1) Taft RW et al; Nature 313: 384-6 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng New York, NY: Hemisphere Pub Corp (1985)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of N,N-dimethylformamide can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that N,N-dimethylformamide is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Feb 11, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
3.87 mm Hg at 25 deg CDaubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1985)
MS-Links
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fluorescens ALEB7Bpromotes growth of non-infected Atractylodes lanceafrom geo-authentic Atractylodes lanceaZhou et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST


N-[2-[acetyl(nitro)amino]ethyl]-N-nitroacetamide

Compound Details

Synonymous names
QYYIAMKTNITMRW-UHFFFAOYSA-N
AC1L21XI
N,N'-Ethylenebis(N-nitroacetamide)
LS-9545
N,N'-dinitro-N,N'-ethanediyl-bis-acetamide
Ambcb5126898
ZINC2040184
DTXSID80238925
ACETAMIDE, N,N'-ETHYLENEBIS(N-NITRO-
ZINC02040184
BRN 1801754
922-89-4
MCULE-8408988846
N-[2-[acetyl(nitro)amino]ethyl]-N-nitroacetamide
3-04-00-00547 (Beilstein Handbook Reference)
IUPAC nameN-[2-[acetyl(nitro)amino]ethyl]-N-nitroacetamide
SMILESCC(=O)N(CCN(C(=O)C)[N+](=O)[O-])[N+](=O)[O-]
InchiInChI=1S/C6H10N4O6/c1-5(11)7(9(13)14)3-4-8(6(2)12)10(15)16/h3-4H2,1-2H3
FormulaC6H10N4O6
PubChem ID13537
Molweight234.168
LogP-4.22
Atoms26
Bonds25
H-bond Acceptor6
H-bond Donor0
Chemical ClassificationAmides nitrogen compounds nitro compounds

mVOC Specific Details


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


Octadecanamide

Mass-Spectra

Compound Details

Synonymous names
Octadecylamide
Octadecanamide
Stearoylamide
Octadecamide
Stearoylamine
Stearylamide
Stearamide
OCTADECANAMIDE, STEARAMIDE
LYRFLYHAGKPMFH-UHFFFAOYSA-N
Octadecanoic acid amide
Stearic amide
Crodamide S
Crodamide SR
STEARIC ACID AMIDE
Kemamide S
Amide T
AC1L1LCH
Petrac vyn-eze
ACMC-1BRXL
stearic acid, amide
YQX129FH1U
Adogen 42
C18H37NO
KSC178A4T
Armid 18
CHEMBL88311
UNII-YQX129FH1U
SCHEMBL27869
HSDB 723
X3613
S0075
CTK0H8049
NSC66462
RL01105
RL01104
RL01103
Uniwax 1750
Octadecanamide, technical grade, 85%
C13846
CCRIS 6866
DTXSID9027025
LP070543
SBB061048
STL453616
CHEBI:34900
A805214
ZINC8437471
LS-97659
NSC 66462
AN-22950
ANW-18222
KB-79652
NSC-66462
MFCD00008038
LMFA08010003
AI3-10003
RTX-011336
ST51047121
J-005061
AKOS015843174
I05-0420
J-523821
FT-0651996
BRN 0909006
124-26-5
MCULE-4542342972
NCGC00164016-01
EINECS 204-693-2
37189-35-8
176201-41-5
MolPort-003-939-323
1243312-32-4
1243312-31-3
IUPAC nameoctadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N
InchiInChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)
FormulaC18H37NO
PubChem ID31292
Molweight283.5
LogP6.34
Atoms57
Bonds56
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmides

mVOC Specific Details

Boiling Point
DegreeReference
250-251 DEG C AT 12 MM HGWeast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-402
Solubility
INSOL IN WATER; SOL IN ETHER, CHLOROFORM, HOT ETHANOL; SLIGHTLY SOL IN ACETONE, BENZENE
Literature: Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-402
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo


Propanamide

Mass-Spectra

Compound Details

Synonymous names
PROPIONAMIDE
Propylamide
Propanamide
propioamide
Propanimidic acid
Propionimidic acid
QLNJFJADRCOGBJ-UHFFFAOYSA-N
Propionic amide
Amid kyseliny propionove
Propionic acid amide
n-propionic amide
AC1L1MUD
AC1Q2SID
ACMC-1BJ8Y
KSC378E2R
S216
Propionimidic acid (VAN)
Propionamide, 97%
Propanimidic acid (VAN)
Amid kyseliny propionove [Czech]
QK07G0HP47
CTK2H8228
P0499
WLN: ZV2
RP18319
DB04161
NE10546
NSC38708
UNII-QK07G0HP47
OR341822
Jsp004788
Jsp002489
OR025424
OR245866
DTXSID3058820
CHEMBL1235716
STL363023
ZINC1670847
CHEBI:45422
CJ-27133
TRA0037652
NSC-38708
NSC 38708
SC-18213
AN-42136
ANW-37252
CJ-06113
MFCD00008039
ZINC01670847
TR-025203
RTR-025203
LS-123996
KB-109286
AI3-21217
DB-031910
Z33546482
J-524060
AKOS005177582
FT-0631349
BRN 0969258
79-05-0
I14-11773
EN300-15614
Propionamide, Vetec(TM) reagent grade, 97%
F0001-2069
PROPYL, 3-AMINO-3-OXO-
MCULE-3730796130
EINECS 201-172-1
MolPort-003-926-455
97843-EP2305686A1
97843-EP2305685A1
32530-EP2311827A1
32530-EP2301933A1
101962-EP2275469A1
101962-EP2301983A1
101962-EP2298828A1
101962-EP2289965A1
101962-EP2287940A1
4-02-00-00725 (Beilstein Handbook Reference)
InChI=1/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5
IUPAC namepropanamide
SMILESCCC(=O)N
InchiInChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
FormulaCH3CH2CONH2
PubChem ID6578
Molweight73.095
LogP-0.33
Atoms12
Bonds11
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmides ntrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fluorescens ALEB7Bnafrom geo-authentic Atractylodes lanceaZhou et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST