Results for:
chemical Classification: amines

(2,4,6-triaminopyrimidin-5-yl) Hydrogen Sulfate

Compound Details

Synonymous names
2,4,6-Triamino-5-pyrimidinyl hydrogen sulfate
71552-23-3
QIMCHUDSVIDYRZ-UHFFFAOYSA-N
DTXSID201220384
5-Pyrimidinol, 2,4,6-triamino-, 5-(hydrogen sulfate)
Microorganism:

Yes

IUPAC name(2,4,6-triaminopyrimidin-5-yl) hydrogen sulfate
SMILESC1(=C(N=C(N=C1N)N)N)OS(=O)(=O)O
InchiInChI=1S/C4H7N5O4S/c5-2-1(13-14(10,11)12)3(6)9-4(7)8-2/h(H,10,11,12)(H6,5,6,7,8,9)
FormulaC4H7N5O4S
PubChem ID548550
Molweight221.2
LogP-1.8
Atoms14
Bonds2
H-bond Acceptor9
H-bond Donor4
Chemical Classificationamines sulfur compounds aromatic compounds nitrogen compounds heterocyclic compounds pyrimidines sulfates

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno


Butanimidamide

Compound Details

Synonymous names
Butanimidamide
Butyramidine
107-90-4
Butyrimidamide
Butyric acid amidine
Butanoic acid amidine
NSC-56360
amidinopropane
Propane, 1-guanyl-
HSB7V5A6Z6
DTXSID60274604
NSC56360
AKOS000187373
MCULE-9230704591
AM802888
DB-002668
NS00010088
EN300-56500
A926953
Microorganism:

Yes

IUPAC namebutanimidamide
SMILESCCCC(=N)N
InchiInChI=1S/C4H10N2/c1-2-3-4(5)6/h2-3H2,1H3,(H3,5,6)
FormulaC4H10N2
PubChem ID18182
Molweight86.14
LogP0.1
Atoms6
Bonds2
H-bond Acceptor1
H-bond Donor2
Chemical Classificationamines imides nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1-methyl-1-phenylhydrazine

Compound Details

Synonymous names
1-Methyl-1-phenylhydrazine
618-40-6
1-Methylphenylhydrazine
N-Methyl-N-phenylhydrazine
Hydrazine, 1-methyl-1-phenyl-
N-Phenyl-N-methylhydrazine
1-methyl-1-phenyl-hydrazine
.alpha.-Methyl-.alpha.-phenylhydrazine
YHB9CZB63U
N-methyl-N-phenyl-hydrazine
MFCD00007627
NSC-525518
Hydrazine, methylphenyl-
alpha-Methyl-alpha-phenylhydrazine
EINECS 210-547-9
UNII-YHB9CZB63U
NSC 525518
methylphenylhydrazine
NSC525518
methyl phenylhydrazine
n-methylphenylhydrazine
SCHEMBL788
1-methyl 1-phenylhydrazine
1-phenyl-1-methylhydrazine
1-methyl-1-phenyl hydrazine
.alpha.-Methylphenylhydrazine
DTXSID2060678
HMS1761M15
1-Methyl-1-phenylhydrazine, 97%
AMY22640
618-40-6 pound OIAe pound(c)
BBL100336
STL554118
AKOS001098542
FS-4236
MCULE-1026323460
s11053
J29.560D
SY049215
A8562
M0399
NS00034808
EN300-18464
J-505003
Q27294527
Z57985384
InChI=1/C7H10N2/c1-9(8)7-5-3-2-4-6-7/h2-6H,8H2,1H
Microorganism:

Yes

IUPAC name1-methyl-1-phenylhydrazine
SMILESCN(C1=CC=CC=C1)N
InchiInChI=1S/C7H10N2/c1-9(8)7-5-3-2-4-6-7/h2-6H,8H2,1H3
FormulaC7H10N2
PubChem ID36299
Molweight122.17
LogP1.6
Atoms9
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationamines hydrazines heterocyclic compounds nitrogen compounds

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


Methyl (2S)-2-aminopropanoate

Compound Details

Synonymous names
Methyl L-alaninate
(S)-methyl 2-aminopropanoate
10065-72-2
Alanine methyl ester
methyl (2S)-2-aminopropanoate
L-Alanine, methyl ester
methyl alaninate
(S)-alanine methyl ester
alanine methylester
Ala-OMe
EINECS 233-201-9
H-Ala-OMe
D-ALANYL ESTER
(L)-Ala-OMe
H2N-(L)-Ala-OMe
Methyl 2-aminopropanoate #
(S)-methyl2-aminopropanoate
SCHEMBL72838
(+)-L-Alanine methyl ester
CHEMBL590283
L-.alpha.-Alanine methyl ester
DTXSID40905646
AKOS016843082
MCULE-1665306037
DB-187583
NS00082506
NS00082529
EN300-54729
Q27463019
Microorganism:

Yes

IUPAC namemethyl (2S)-2-aminopropanoate
SMILESCC(C(=O)OC)N
InchiInChI=1S/C4H9NO2/c1-3(5)4(6)7-2/h3H,5H2,1-2H3/t3-/m0/s1
FormulaC4H9NO2
PubChem ID82335
Molweight103.12
LogP-0.4
Atoms7
Bonds2
H-bond Acceptor3
H-bond Donor1
Chemical Classificationamines esters nitrogen compounds
Supernatural-IDSN0077310-02

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1,4-dioxido-1,2,4,5-tetrazine-1,4-diium-3,6-diamine

Compound Details

Synonymous names
153757-93-8
1,2,4,5-Tetrazine-3,6-diamine, 1,4-dioxide
1-hydroxy-6-imino-4-oxido-1,2,4,5-tetrazin-4-ium-3-amine
CID 588892
1,4-dioxido-1,2,4,5-tetrazine-1,4-diium-3,6-diamine
SCHEMBL7196120
DTXSID80343301
STK558043
AKOS005484135
1,2,4,5-tetrazine-3,6-diamine 1,4-dioxide
3,6-diamino-1,2,4,5-tetrazine-1,4-dioxide
Microorganism:

Yes

IUPAC name1,4-dioxido-1,2,4,5-tetrazine-1,4-diium-3,6-diamine
SMILESC1(=N[N+](=C(N=[N+]1[O-])N)[O-])N
InchiInChI=1S/C2H4N6O2/c3-1-5-8(10)2(4)6-7(1)9/h(H2,3,5)(H2,4,6)
FormulaC2H4N6O2
PubChem ID135443984
Molweight144.09
LogP-2.9
Atoms10
Bonds0
H-bond Acceptor6
H-bond Donor2
Chemical Classificationamines azines heterocyclic compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


(2S)-2-amino-N-ethylpropanamide

Compound Details

Synonymous names
(2S)-2-amino-N-ethylpropanamide
71773-95-0
N~1~-ethylalaninamide
alanine ethylamide
(S)-2-Amino-N-ethylpropanamide
l-Alanine ethylamide, (S)-
l-alanine ethylamide
Ala-NH-Et
2-Amino-N-ethylpropanamide #
SCHEMBL2246459
DTXSID60427835
(S)-2-Amino-N-ethyl-propanamide
(S)-2-amino-N-ethyl-propionamide
E86374
Microorganism:

Yes

IUPAC name(2S)-2-amino-N-ethylpropanamide
SMILESCCNC(=O)C(C)N
InchiInChI=1S/C5H12N2O/c1-3-7-5(8)4(2)6/h4H,3,6H2,1-2H3,(H,7,8)/t4-/m0/s1
FormulaC5H12N2O
PubChem ID7128993
Molweight116.16
LogP-0.6
Atoms8
Bonds2
H-bond Acceptor2
H-bond Donor2
Chemical Classificationamines amides nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


(2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide

Compound Details

Synonymous names
Penta-2,4-dienamide, 2-cyano-3-methyl-5-dimethylamino-
BQVXCXDDOBSDQZ-UTOQUPLUSA-N
(2Z,4Z)-2-Cyano-5-(dimethylamino)-3-methyl-2,4-pentadienamide #
Microorganism:

Yes

IUPAC name(2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide
SMILESCC(=C(C#N)C(=O)N)C=CN(C)C
InchiInChI=1S/C9H13N3O/c1-7(4-5-12(2)3)8(6-10)9(11)13/h4-5H,1-3H3,(H2,11,13)/b5-4-,8-7-
FormulaC9H13N3O
PubChem ID5374643
Molweight179.22
LogP0.7
Atoms13
Bonds3
H-bond Acceptor3
H-bond Donor1
Chemical Classificationamines amides nitrogen compounds nitriles

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one

Compound Details

Synonymous names
Halofuginone
(+)-Halofuginone
Halocur
Halofuginone, (+)-
55837-20-2
6-Chloro-7-bromo-(+)-febrifugine
Halofuginon
Halofuginonum
H84E4Y7HC9
L31MM1385E
(+/-)-trans-7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidyl)-acetonyl)-4(3H)-quinazolinone
Halofuginone [INN:BAN]
7-Bromo-6-chloro-3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone
868851-54-1
Halofunginone
7-Bromo-6-Chloro-3-{3-[(2r,3s)-3-Hydroxypiperidin-2-Yl]-2-Oxopropyl}quinazolin-4(3h)-One
4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-
rel-7-Bromo-6-chloro-3-(3-((2R,3S)-3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one
NSC713205
HALOFUGINONE [INN]
Halofuginonum [INN-Latin]
Halofuginona [INN-Spanish]
UNII-L31MM1385E
HalocurTM
HT-100
7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one
HFG
HALOFUGINONE [MI]
UNII-H84E4Y7HC9
SCHEMBL9541147
CHEMBL1199540
7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxopropyl]-4(3H)-Quinazolinone
DTXSID301339439
s8144
AKOS022185424
CCG-268823
DB04866
(+-)-trans-7-Brom-6-chlor-3-(3-(3-hydroxy-2-piperidyl)acetonyl-4(3H)-chinazolinon
(+-)-trans-7-Bromo-6-chloro-3-(3-(3-hydroxy-2-piperidyl)acetonyl-4(3H)-quinazolinone
7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
trans-7-Bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone
4(3H4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, trans-(+/-)-
HALOFUGINONE [EMA EPAR VETERINARY]
rel-7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone
NS00017223
Q4132745
(+/-)-trans-7-Bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-4(3H)-quinazolinone hydrobromide
4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-, rel-
4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, trans-
4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, trans-(+-)-
4(3H)-QUINAZOLINONE, 7-BROMO-6-CHLORO-3-(3-(3-HYDROXY-2-PIPERIDINYL)-2-OXOPROPYL)-, TRANS-(+/-)-
7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}-3,4-dihydroquinazolin-4-one
Microorganism:

Yes

IUPAC name7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
SMILESC1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O
InchiInChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1
FormulaC16H17BrClN3O3
PubChem ID456390
Molweight414.7
LogP1.4
Atoms24
Bonds4
H-bond Acceptor5
H-bond Donor2
Chemical Classificationamines quinazolines alcohols aromatic compounds halogenated compounds benzenoids bromides chlorides heterocyclic compounds ketones nitrogen compounds
Supernatural-IDSN0216206-01

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia ArborisNANAZhu et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia Arborisnutrient agar (NA) mediumUPLC-QTOF/MSno


(2S)-2-[[(5S)-5-amino-5-carboxypentyl]amino]pentanedioic Acid

Compound Details

Synonymous names
L-Saccharopine
saccharopine
997-68-2
accharopin
epsilon-N-(L-glutar-2-yl)-L-lysine
Saccharopin
N6-(L-1,3-dicarboxypropyl)-L-lysine
WBQ73O8W32
N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID
N-[(5S)-5-amino-5-carboxypentyl]-L-glutamic acid
N-[(S)-5-Amino-5-carboxypentyl]-L-glutamic acid
L-Glutamic acid, N-[(5S)-5-amino-5-carboxypentyl]-
((S)-5-amino-5-carboxypentyl)-L-glutamic acid
N-((5S)-5-AMINO-5-CARBOXYPENTYL)-L-GLUTAMIC ACID
UNII-WBQ73O8W32
L-GLUTAMIC ACID, N-((5S)-5-AMINO-5-CARBOXYPENTYL)-
(2S)-2-[[(5S)-5-amino-5-carboxypentyl]amino]pentanedioic acid
(2S)-2-{[(5S)-5-amino-5-carboxypentyl]amino}pentanedioic acid
L-Saccharopin
SACCHAROPINE, L-
N-(5-amino-5-carboxypentyl)-L-glutamic acid
L-SACCHAROPINE [MI]
SCHEMBL187831
L-Glutamic acid, N-(5-amino-5-carboxypentyl)-, (S)-
CHEBI:16927
DTXSID80862507
AKOS030623049
CS-W021047
DB04207
HY-W040307
N(6)-(L-1,3-dicarboxypropyl)-L-lysine
N-(5-amino-5-carboxypentyl)-glutamic acid
NS00014873
L-N-(5-amino-5-carboxypentyl)-Glutamic acid
.EPSILON.-N-(L-GLUTAR-2-YL)-L-LYSINE
C00449
(S)-N-(5-amino-5-carboxypentyl)-L-Glutamic acid
A937066
Q3132238
2-[(5-Amino-5-carboxy-pentyl)amino]pentanedioic acid
(S)-2-((S)-5-amino-5-carboxypentylamino)pentanedioic acid
BE230516-20C4-4441-BF27-4117776E281D
Microorganism:

Yes

IUPAC name(2S)-2-[[(5S)-5-amino-5-carboxypentyl]amino]pentanedioic acid
SMILESC(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N
InchiInChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
FormulaC11H20N2O6
PubChem ID160556
Molweight276.29
LogP-5.5
Atoms19
Bonds11
H-bond Acceptor8
H-bond Donor5
Chemical Classificationamines organic acids nitrogen compounds carboxylic acids
CHEBI-ID16927
Supernatural-IDSN0467279-01

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacteroides ThetaiotaomicronNANABryant et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacteroides ThetaiotaomicronBrain Heart Infusion medium with 0.001% heminRP/UPLC-MS/MS (ESI+) (-ESI)no


5-(dimethylamino)benzene-1,3-dicarboxylic Acid

Compound Details

Synonymous names
5-(Dimethylamino)isophthalic acid
5-(dimethylamino)benzene-1,3-dicarboxylic acid
4861-72-7
SCHEMBL680955
LDQGLUYMXUOGRH-UHFFFAOYSA-N
AKOS018251567
F76016
1,3-Benzenedicarboxylic acid, 5-(dimethylamino)-
Microorganism:

Yes

IUPAC name5-(dimethylamino)benzene-1,3-dicarboxylic acid
SMILESCN(C)C1=CC(=CC(=C1)C(=O)O)C(=O)O
InchiInChI=1S/C10H11NO4/c1-11(2)8-4-6(9(12)13)3-7(5-8)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
FormulaC10H11NO4
PubChem ID18546576
Molweight209.2
LogP1.1
Atoms15
Bonds3
H-bond Acceptor5
H-bond Donor2
Chemical Classificationaromatic compounds amines organic acids nitrogen compounds benzenoids carboxylic acids

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1-phenylpropan-2-amine

Compound Details

Synonymous names
AMPHETAMINE
Amfetamine
1-phenylpropan-2-amine
dl-Amphetamine
300-62-9
Desoxynorephedrine
Norephedrane
1-Phenyl-2-aminopropane
Elastonon
Fenopromin
Phenedrine
alpha-Methylphenethylamine
beta-Aminopropylbenzene
Propisamine
Psychedrine
Raphetamine
Rhinalator
Simpatedrin
Sympatedrine
Actedron
Allodene
Anorexide
Anorexine
Benzebar
Benzolone
Isoamyne
Mecodrin
Novydrine
Oktedrin
Ortedrine
Percomon
Profamina
Simpatina
Sympamine
Weckamine
Adipan
Finam
Isomyn
1-Methyl-2-phenylethylamine
1-Phenyl-2-propylamine
Protioamphetamine
amfetaminum
alpha-Methylbenzeneethaneamine
3-Phenyl-2-propylamine
Fenylo-izopropylaminyl
(Phenylisopropyl)amine
dl-alpha-Methylphenethylamine
1-Phenyl-2-propanamine
2-Amino-1-phenylpropane
(+-)-Benzedrine
racemic-Desoxynor-ephedrine
Amfetamin
Amfetamina
Amphetamin
Anfetamina
Dyanavel
dl-Benzedrine
beta-Phenylisopropylamin
Adzenys ER
Amphetamine, dl-
1-Phenyl-2-amino-propan
(+-)-alpha-Methylphenylethylamine
beta-Phenylisopropylamine
60-15-1
rac-Amphetamine
(+-)-alpha-Methylphenethylamine
HSDB 3287
.beta.-Aminopropylbenzene
Amfetaminum [INN-Latin]
Benzeneethanamine, alpha-methyl-, (+-)-
Amfetamina [INN-Spanish]
(+-)-alpha-Methylbenzeneethanamine
(+/-)-Desoxynorephedrine
Benzeneethanamine, .alpha.-methyl-
UNII-CK833KGX7E
EINECS 200-458-3
EINECS 206-096-2
CK833KGX7E
dl-1-Phenyl-2-aminopropane
Adzenys XR-ODT
NSC 27159
NSC-27159
Phenethylamine, alpha-methyl-
.alpha.-Methylbenzeneethanamine
Phenethylamine, alpha-methyl-, (+-)-
Norephedrine, deoxy-
3-AMINO-1-PROPYLBENZENE
AI3-02438
1-Phenylpropan-2-amin
alpha-Methylphenylethylamine
Dexedrine
CHEBI:2679
DTXSID4022600
Amfetamine (INN)
NSC27159
Dexacaps
NT-0201
AMFETAMINE [INN]
Amfetaminum (INN-Latin)
Desoxynorephedrin
Amfetamina (INN-Spanish)
Phenethylamine, .alpha.-methyl-, (.+/-.)-
AMFETAMINE (MART.)
AMFETAMINE [MART.]
Benzeneethanamine, .alpha.-methyl-, (.+/-.)-
Amfetamina [Italian]
Anfetamina [Spanish]
DEA No. 1100
Amfetamine [INN:BAN]
Adderall XR
Dyanavel XR
beta-Aminopropylbenzene (VAN)
DELCOBESE
Fenylo-izopropylaminyl [Polish]
Benzeneethanamine, alpha-methyl-
1-Phenyl-2-aminopropane (VAN)
beta-Phenylisopropylamin [German]
1-Phenyl-2-amino-propan [German]
beta-phenyl-isopropylamine
alpha-Methylbenzeneethanamine
amphetaminium
(+)-.alpha.-Methylphenethylamine
Adderal
Adzenys
Isoamycin
amphetamine-
NSC73713
Amfetamin (TN)
Dyanavel (TN)
component of Amodex
Phenethylamine, d-
S(+)-Amphetamine
(+-)-amphetamine
Adzenys (TN)
(plusmn)-amphetamine
Benzeneethanamine, .alpha.-methyl-, (S)-
Noclon (Salt/Mix)
ACETEDRON
Fenamin (Salt/Mix)
Ortenal (Salt/Mix)
Zedrine (Salt/Mix)
(+/-)-Benzedrine
Euphodyn (Salt/Mix)
Stimulan (Salt/Mix)
Fabedrine (Salt/Mix)
Oraldrina (Salt/Mix)
Vapedrine (Salt/Mix)
Sympametin (Salt/Mix)
component of Biphetamine
Phenethylamine, (+)-
3-phenylpropan-2-amine
AMPHETAMINE [MI]
(.+/-.)-Benzedrine
Benzeneethanamine, (S)-
RACEMIC AMPHETAMINE
.beta.-Phenylisopropylamin
alpha-methyl phenethylamine
AMPHETAMINE, (D)
AMPHETAMINE [HSDB]
CHEMBL405
.beta.-Phenylisopropylamine
AMPHETAMINE [VANDF]
SCHEMBL8858
.alpha.-Methylphenethylamine
AMFETAMINE [WHO-DD]
Oprea1_447423
d/l-Amphetamine hydrochloride
(.+/-.)-Desoxynorephedrine
.alpha.-Methylphenylethylamine
DivK1c_000991
WLN: ZY1&1R
(S)-.alpha.-Phenylethylamine
d-.alpha.-Methylphenethylamine
DTXCID402600
GTPL4804
WLN: ZY1&1R -D
.alpha.-Methylbenzeneethaneamine
DL-.alpha.-Methylphenethylamine
(+-)-DESOXYNOREPHEDRINE
HMS503G03
KBio1_000991
Phenethylamine, .alpha.-methyl-
(+/-)-beta-Phenylisopropylamine
alpha-methyl-beta-phenylethylamine
AMPHETAMINE [ORANGE BOOK]
N06BA01
(+-)-alpha-methyl phenethylamine
(+-)-PHENYLISOPROPYLAMINE
(+/-)-alpha-Methylphenethylamine
CHEBI:132233
NINDS_000991
rac-(2R)-1-phenylpropan-2-amine
(+)-.alpha.-Methylphenylethylamine
PHENETHYLAMINE, ALPHA-METHYL
RACEMIC DESOXY-NOR-EPHEDRINE
.alpha.-Methylphenethylamine, d-form
BDBM50005246
(S)-(+)-.beta.-Phenylisopropylamine
(+-)-BETA-PHENYLISOPROPYLAMINE
(.+/-.)-.beta.-Phenylisopropylamine
AB07478
DB00182
MCULE-4193952437
(+-)-1-PHENYL-2-AMINOPROPANE
(.+/-.)-.alpha.-Methylphenethylamine
IDI1_000991
rac-Amphetamine 1.0 mg/ml in Methanol
(.+/-.)-.alpha.-Methylphenylethylamine
(+-)-ALPHA-METHYLBENZENE-ETHANAMINE
(+-)-ALPHA-METHYLPHENYL ETHYLAMINE
Benzeneethanamine, alpha-methyl-, (+/-)-
DB-047697
(+/-)-.ALPHA.-METHYLPHENETHYLAMINE
NS00000406
BENZENEETHANAMINE, ALPHA-METHYL-,(+-)
C07514
D03740
D07445
L000864
Q179452
BENZENEETHANAMINE, .ALPHA.-METHYL-, (+/-)-
SELEGILINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Microorganism:

Yes

IUPAC name1-phenylpropan-2-amine
SMILESCC(CC1=CC=CC=C1)N
InchiInChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
FormulaC9H13N
PubChem ID3007
Molweight135.21
LogP1.8
Atoms10
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamines benzenoids nitrogen compounds aromatic compounds
CHEBI-ID2679
Supernatural-IDSN0197531

mVOC Specific Details

Boiling Point
DegreeReference
200 °C peer reviewed
Volatilization
A pKa of 10.13(1) indicates amphetamine will exist almost entirely in the cation form at pH values of 5 to 9 and, therefore, volatilization from water or moist soil surfaces is not expected to be an important fate process(SRC). Amphetamine has a low vapor pressure of 0.24 mm Hg(2) and exists as a liquid under environmental conditions; therefore, amphetamine may volatilize from dry soil(SRC).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of amphetamine can be estimated to be 760(SRC). According to a classification scheme(2), this estimated Koc value suggests that amphetamine is expected to have low mobility in soil. The pKa of amphetamine is 10.13(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).
Massbank-Links
Massbank Spectrum MSBNK-Athens_Univ-AU154001
Massbank Spectrum MSBNK-Athens_Univ-AU154002
Massbank Spectrum MSBNK-Athens_Univ-AU154007
Massbank Spectrum MSBNK-Athens_Univ-AU154008
Massbank Spectrum MSBNK-Athens_Univ-AU154030
Massbank Spectrum MSBNK-Eawag-EA282201
Massbank Spectrum MSBNK-Eawag-EA282202
Massbank Spectrum MSBNK-Eawag-EA282203
Massbank Spectrum MSBNK-Eawag-EA282204
Massbank Spectrum MSBNK-Eawag-EA282205
Massbank Spectrum MSBNK-Eawag-EA282206
Massbank Spectrum MSBNK-Eawag-EA282207
Massbank Spectrum MSBNK-Eawag-EA282208
Massbank Spectrum MSBNK-Eawag-EA282209
Massbank Spectrum MSBNK-Eawag-EA282210
Massbank Spectrum MSBNK-Eawag-EA282211
Massbank Spectrum MSBNK-Eawag-EA282212
Massbank Spectrum MSBNK-Eawag-EA282213
Massbank Spectrum MSBNK-Eawag-EA282214
Massbank Spectrum MSBNK-Waters-WA000407
Massbank Spectrum MSBNK-Waters-WA000408
Massbank Spectrum MSBNK-Waters-WA000409
Massbank Spectrum MSBNK-Waters-WA000410

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPleurotus OstreatusAgriculture Research Center, Giza, EgyptHamad et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPleurotus OstreatusGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


S-amino Benzenecarbothioate

Compound Details

Synonymous names
S-benzoylthiohydroxylamine
S-amino benzenecarbothioate
S-[Benzoyl]sulfenamide
S-Benzoyl(thiohydroxylamine)
thiobenzoic acid S-amino ester
SCHEMBL2101715
[(Aminosulfanyl)carbonyl]benzene
NEQRDYYMIIIVPW-UHFFFAOYSA-
[(Aminosulfanyl)carbonyl]benzene #
InChI=1/C7H7NOS/c8-10-7(9)6-4-2-1-3-5-6/h1-5H,8H2
Microorganism:

Yes

IUPAC nameS-amino benzenecarbothioate
SMILESC1=CC=C(C=C1)C(=O)SN
InchiInChI=1S/C7H7NOS/c8-10-7(9)6-4-2-1-3-5-6/h1-5H,8H2
FormulaC7H7NOS
PubChem ID569822
Molweight153.2
LogP1.2
Atoms10
Bonds2
H-bond Acceptor3
H-bond Donor1
Chemical Classificationamines sulfur compounds nitrogen compounds thioesters

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


2-phenylethanamine

Mass-Spectra

Compound Details

Synonymous names
Phenethylamine
2-phenylethylamine
2-Phenylethanamine
64-04-0
Benzeneethanamine
2-Phenethylamine
phenylethylamine
beta-phenylethylamine
beta-Phenethylamine
1-Amino-2-phenylethane
beta-Aminoethylbenzene
(2-Aminoethyl)benzene
1-Phenyl-2-aminoethane
2-Amino-1-phenylethane
Ethanamine, 2-phenyl-
Ethylamine, 2-phenyl-
1-Phenyl-2-amino-athan
2-Fenylethylamin
2-Amino-fenylethan
2-Phenylethan-1-Amine
PHENETHYLAMINE, BETA
b-phenylethylamine
2-Fenylethylamin [Czech]
beta-Phenylaethylamin
2-phenyl-d5-ethylamine
2-Amino-fenylethan [Czech]
.beta.-Phenylethylamine
beta-Phenylaethylamin [German]
FEMA No. 3220
2-Aminoethylbenzene
1-Phenyl-2-amino-athan [German]
.beta.-Phenethylamine
NSC 10811
phenethyl-amine
.beta.-Aminoethylbenzene
HSDB 3526
1tnj
1utm
1uto
b-aminoethylbenzene
EINECS 200-574-4
UNII-327C7L2BXQ
MFCD00008184
BRN 0507488
327C7L2BXQ
omega-Phenylethylamine
CHEBI:18397
AI3-03117
.beta.-Phenylaethylamin
.omega.-Phenylethylamine
NSC-10811
CHEMBL610
912627-99-7
DTXSID5058773
EC 200-574-4
PHENETHYLAMINE, HYDROCHLORIDE
beta-phenylaethylamin (german)
phenethyl amine
1-Phenyl-2-amino-athan (GERMAN)
.beta.-Phenylathylaminhydrochlorid
SMR000471837
PHEA
phenethylamin
phenethylarnine
b-phenethylamine
N-phenethylamine
Phenylethyl amine
b-phenylaethylamin
benzene-ethanamine
2-penylethylamine
beta Phenethylamine
2-phenylethaneamine
2-phenylethariamine
2-phenyl-ethylamine
2-phenyl-Ethanamine
2-Phenylethyl amine
N-Benzylmethyl-amine
14C-phenylethylamine
(2-phenylethyl)amine
2-(phenyl)ethylamine
2-Phenylethanamine #
2-(aminoethyl)benzene
Phenethylamine, 99%
Phenethylamine, .beta.
2-Phenethylamine, liquid
Phenethylamine, >=99%
1-Phenyl-2-amino-aethan
SCHEMBL968
bmse000377
PHENETHYLAMINE [MI]
b-phenylaethylamin (german)
WLN: Z2R
PHENETHYLAMINE [FHFI]
MLS001066395
MLS001075768
SCHEMBL330324
GTPL2144
PHENETHYLAMINE [WHO-DD]
DTXCID3044172
BDBM10758
2-PHENYLETHYLAMINE [HSDB]
HMS2267J14
HMS3886K21
AMY39444
NSC10811
STR01455
s5347
STL264196
2-Phenethylamine, analytical standard
2-phenylethanamine (ACD/Name 4.0)
2-phenylethylamine (ACD/Name 4.0)
AKOS000119084
CCG-266078
CS-W011199
DB04325
HY-W010483
MCULE-5305816256
NCGC00163366-01
DB-002852
NS00010853
P0085
C05332
D78532
Q407411
Q-201553
Phenethylamine, purified by redistillation, >=99.5%
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
Molweight121.18
LogP1.4
Atoms9
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamines aromatic compounds nitrogen compounds benzenoids
CHEBI-ID18397
Supernatural-IDSN0025482

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
Massbank-Links
Massbank Spectrum MSBNK-Athens_Univ-AU510901
Massbank Spectrum MSBNK-Athens_Univ-AU510908
Massbank Spectrum MSBNK-Athens_Univ-AU510909
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002932
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005862
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005943
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008252
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009400
Massbank Spectrum MSBNK-Keio_Univ-KO003738
Massbank Spectrum MSBNK-Keio_Univ-KO003739
Massbank Spectrum MSBNK-Keio_Univ-KO003740
Massbank Spectrum MSBNK-Keio_Univ-KO003741
Massbank Spectrum MSBNK-Keio_Univ-KO003742
Massbank Spectrum MSBNK-Keio_Univ-KO003793
Massbank Spectrum MSBNK-Keio_Univ-KO003794
Massbank Spectrum MSBNK-Keio_Univ-KO003795
Massbank Spectrum MSBNK-Keio_Univ-KO003796
Massbank Spectrum MSBNK-Keio_Univ-KO003797

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus Schleifericlinical isolateLemfack et al. 2016
ProkaryotaArthrobacter Globiformisn/aNASchulz and Dickschat 2007
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus Schleiferibrain heart infusion mediumPorapak / GC/MSno
ProkaryotaArthrobacter Globiformisn/an/ano
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


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

Compound Details

Synonymous names
2-Propenal, 3-(1-aziridinyl)-3-(dimethylamino)-
NRCJELUZOZAJPC-XVNBXDOJSA-N
(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
Molweight140.18
LogP0.2
Atoms10
Bonds3
H-bond Acceptor3
H-bond Donor0
Chemical Classificationamines aldehydes heterocyclic compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Putidanablack pepper rootSheoran et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas PutidaLuria Bertani AgarSolvent extraction with dichloro methane, GC/MSno


5,5-diethyl-1,3-diazinane-2,4,6-trione

Compound Details

Synonymous names
barbital
Barbitone
Veronal
5,5-Diethylbarbituric acid
57-44-3
Ethylbarbital
Diemal
Diethylmalonylurea
DEBA
Vesperal
Malonal
Uronal
Diethylbarbitone
Dormonal
Hypnogene
Veroletten
Verolettin
Sedeval
Diethylbarbituric acid
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-
5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Barbituric acid, 5,5-diethyl-
Kyselina 5,5-diethylbarbiturova
5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione
diethylmalonyl urea
NSC 31352
CHEBI:31252
5,5-diethyl-1,3-diazinane-2,4,6-trione
NSC-31352
5WZ53ENE2P
Barbitonum
Diemalum
DTXSID5022643
Barbital (VAN)
Barbitale [DCIT]
NCGC00159419-02
NCGC00159419-04
Barbitale
Barbitalum
Barbitalum [INN-Latin]
DTXCID802643
Diethyl-barbituric acid
CAS-57-44-3
Barbital (TN)
CCRIS 7420
Kyselina 5,5-diethylbarbiturova [Czech]
EINECS 200-331-2
UNII-5WZ53ENE2P
BRN 0163999
AI3-02727
Barbital [INN:BAN:JAN:NF]
DEA No. 2145
BARBITAL [INN]
BARBITAL [JAN]
BARBITAL [MI]
BARBITAL [VANDF]
Barbital (JP17/INN)
BARBITAL [MART.]
BARBITAL [WHO-DD]
CHEMBL444
Epitope ID:117124
Barbituric acid,5-diethyl-
Oprea1_012884
Oprea1_497227
SCHEMBL43818
5-24-09-00137 (Beilstein Handbook Reference)
Barbital, 1mg/ml in Methanol
BARBITAL [EP IMPURITY]
BARBITAL [EP MONOGRAPH]
Barbital 0.1 mg/ml in Methanol
Barbital 1.0 mg/ml in Methanol
Pharmakon1600-01900040
WLN: T6VMVMV FHJ F2 F2
NSC31352
Tox21_111650
NSC759567
AKOS015903028
Barbital (1.0mg/ml in Acetonitrile)
Tox21_111650_1
Barbital, BioXtra, >=99.0% (T)
CCG-214014
DB01483
MCULE-2107172999
NSC-759567
5,5-Diethyl-pyrimidine-2,4,6-trione
NCGC00159419-03
SBI-0207064.P001
NS00003391
D01740
AB00443731_03
2,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-
Q412409
SR-01000872752
SR-01000872752-1
W-105467
BRD-K83359602-001-01-5
Barbital, European Pharmacopoeia (EP) Reference Standard
InChI=1/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13
Microorganism:

Yes

IUPAC name5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(C(=O)NC(=O)NC1=O)CC
InchiInChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
FormulaC8H12N2O3
PubChem ID2294
Molweight184.19
LogP0.6
Atoms13
Bonds2
H-bond Acceptor3
H-bond Donor2
Chemical Classificationamines carbamides heterocyclic compounds nitrogen compounds
CHEBI-ID31252
Supernatural-IDSN0095177

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno


Morpholine

Compound Details

Synonymous names
MORPHOLINE
110-91-8
1-Oxa-4-azacyclohexane
Diethylene oximide
Tetrahydro-1,4-oxazine
Diethylenimide oxide
Diethyleneimide oxide
Diethylene imidoxide
Drewamine
Tetrahydro-2H-1,4-oxazine
Tetrahydro-p-oxazine
p-Isoxazine, tetrahydro-
morpholin
Tetrahydro-1,4-isoxazine
BASF 238
Caswell No. 584
138048-80-3
2H-1,4-Oxazine, tetrahydro-
4H-1,4-Oxazine, tetrahydro-
NSC 9376
Tetrahydro-p-isoxazine
CCRIS 2482
HSDB 102
EINECS 203-815-1
UNII-8B2ZCK305O
EPA Pesticide Chemical Code 054701
BRN 0102549
8B2ZCK305O
DTXSID2025688
CHEBI:34856
AI3-01231
NSC-9376
MFCD00005972
C4H9NO
Tetrahydro-4H-1-4-oxazine
DTXCID305688
EC 203-815-1
4-27-00-00015 (Beilstein Handbook Reference)
MORPHOLINE (IARC)
MORPHOLINE [IARC]
tetrahydro-14-iso-xazine
1,4-oxazinane
CAS-110-91-8
MORPHOLINE,REAG
MORPHOLINE, PRACT
UN2054
morphline
Morpholine; Molsidomine Imp. E (EP); Molsidomine Impurity E
morpho line
morpholine-
6LR
Morpholine (BASF)
4H-1, tetrahydro-
MORPHOLINE [MI]
Morpholine [UN2054] [Flammable liquid]
MORPHOLINE [FCC]
DIEYTHYLENE OXIMIDE
MORPHOLINE [HSDB]
MORPHOLINE [INCI]
Morpholine on Rasta Resin
WLN: T6M DOTJ
NCIMech_000154
Tetrahydro-1, 4-isoxazine
NCIOpen2_007748
Oprea1_317540
Tetryhydro-2H-1,4-oxazine
Tetrahydro-4H-1,4-Oxazine
61791-40-0
BIDD:ER0297
Morpholine, analytical standard
CHEMBL276518
NSC9376
AMY22834
BCP24054
STR00194
Tox21_202450
Tox21_303240
STL182843
TETRAHYDRO-2H-1, 4-OXAZINE
AKOS000118829
Morpholine, ACS reagent, >=99.0%
Morpholine, ReagentPlus(R), >=99%
DB13669
MCULE-4684386765
NA 2054
UN 2054
USEPA/OPP Pesticide Code: 054701
NCGC00249227-01
NCGC00256942-01
NCGC00259999-01
Morpholine, p.a., ACS reagent, 99.0%
DB-030063
Morpholine [UN2054] [Flammable liquid]
M0465
NS00010190
EN300-18064
Morpholine purified by distillation from glass
Morpholine, purified by redistillation, >=99.5%
Q410243
1-Oxa-4-azacyclohexane; Tetrahydro-2H-1,4-oxazine
J-522715
1-Oxa-4-azacyclohexane ; Tetrahydro-2H-1,4-oxazine
F2190-0339
InChI=1/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H
ScavengePore(TM) phenethyl morpholine, macroporous, 40-70 mesh, extent of labeling: 0.7-1.5 mmol/g loading
StratoSpheres(TM) PL-MPH resin, 50-100 mesh, extent of labeling: 3.0-4.0 mmol/g loading, 1 % cross-linked
Microorganism:

Yes

IUPAC namemorpholine
SMILESC1COCCN1
InchiInChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
FormulaC4H9NO
PubChem ID8083
Molweight87.12
LogP-0.9
Atoms6
Bonds0
H-bond Acceptor2
H-bond Donor1
Chemical Classificationamines nitrogen compounds ethers heterocyclic compounds
CHEBI-ID34856
Supernatural-IDSN0454878

mVOC Specific Details

Boiling Point
DegreeReference
128 °C peer reviewed
Volatilization
Morpholine has a pKa of 8.49(1), indicating that the compound will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water and moist soil surfaces is not expected to be an important fate process(SRC). The Henry's Law constant for the neutral form of morpholine is estimated as 1.2X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 10.1 mm Hg(2) and its assigned value for water solubility of 1.0X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that the neutral form of morpholine is expected to volatilize slowly from water and moist soil surfaces(3). The potential for volatilization of the neutral form of morpholine from dry soil surfaces may exist(SRC) based upon its vapor pressure(2).
Soil Adsorption
The Koc of morpholine is estimated as 7.4(SRC), using a log Kow of -0.86(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that morpholine is expected to have very high mobility in soil. The pKa of morpholine is 8.49(4), indicating that this compound will almost entirely exist 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).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


3-(3-amino-1H-1,2,4-triazol-5-yl)-N-cyclohexylpropanamide

Compound Details

Synonymous names
ACMRHWRWOBYSES-UHFFFAOYSA-N
3-(5-Amino-1H-1,2,4-triazol-3-yl)-N-cyclohexylpropanamide
Microorganism:

Yes

IUPAC name3-(3-amino-1H-1,2,4-triazol-5-yl)-N-cyclohexylpropanamide
SMILESC1CCC(CC1)NC(=O)CCC2=NC(=NN2)N
InchiInChI=1S/C11H19N5O/c12-11-14-9(15-16-11)6-7-10(17)13-8-4-2-1-3-5-8/h8H,1-7H2,(H,13,17)(H3,12,14,15,16)
FormulaC11H19N5O
PubChem ID91704935
Molweight237.3
LogP1
Atoms17
Bonds4
H-bond Acceptor4
H-bond Donor3
Chemical Classificationaromatic compounds amines triazoles heterocyclic compounds amides nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


5-aminohexanoic Acid

Compound Details

Synonymous names
5-Aminohexanoic acid
5-Aminocaproic acid
628-47-7
Hexanoic acid, 5-amino-
5-amino caproic acid
delta-Aminocaproic acid
5-amino-hexanoic acid
BRN 1749088
5-Aminohexanoicacid
SCHEMBL146088
DTXSID50978462
AKOS006274603
MCULE-4570687818
EN300-123334
Microorganism:

Yes

IUPAC name5-aminohexanoic acid
SMILESCC(CCCC(=O)O)N
InchiInChI=1S/C6H13NO2/c1-5(7)3-2-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
FormulaC6H13NO2
PubChem ID79087
Molweight131.17
LogP-2.3
Atoms9
Bonds4
H-bond Acceptor3
H-bond Donor2
Chemical Classificationamines carboxylic acids nitrogen compounds organic acids

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStenotrophomonas Maltophiliaantifungal activity against Colletotrichum nymphaeaeisolated from the healthy strawberry leaf in Kamyaran, Kurdistan provinceAlijani et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStenotrophomonas MaltophiliaNA mediaGC-MSno


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

Compound Details

Synonymous names
2,2-dimethylpent-4-en-1-amine
73604-46-3
2,2-dimethyl-4-penten-1-amine
4-penten-1-amine, 2,2-dimethyl-
SCHEMBL198297
2,2-dimethyl-pent-4-enyl-amine
DTXSID20348956
5-amino-4,4-dimethyl-1-pentene
AKOS006340254
EN300-222348
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
Molweight113.2
LogP1.6
Atoms8
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamines nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas FluorescensNACheng et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas FluorescensKings B + rif,+kann; PDA GC-Q-TOF-MSno


4-propan-2-ylcyclohexan-1-amine

Compound Details

Synonymous names
52430-81-6
4-Isopropylcyclohexanamine
4-Isopropylcyclohexylamine
1-Amino-4-isopropylcyclohexane
4-propan-2-ylcyclohexan-1-amine
23775-41-9
4-(propan-2-yl)cyclohexan-1-amine
23775-42-0
CYCLOHEXANAMINE, 4-(1-METHYLETHYL)-, CIS-
CYCLOHEXANAMINE,4-(1-METHYLETHYL)-,CIS-
4-ISOPROPYLCYCLOHEXAN-1-AMINE
Cyclohexanamine, 4-(1-methylethyl)-, trans-
Cyclohexanamine, 4-(1-methylethyl)- (9CI)
(1s,4s)-4-(propan-2-yl)cyclohexan-1-amine
4-Isopropylcyclohexanamine #
cis-4-isopropylcyclohexanamine
Cyclohexanamine, 4-(1-methylethyl)-, trans- (9CI)
SCHEMBL1765373
SCHEMBL1765374
SCHEMBL4829885
SCHEMBL8236383
trans-4-Isopropylcyclohexanamine
SCHEMBL13255789
trans 4-isopropyl-cyclohexylamine
DTXSID00329546
MFRKYEJMLQUSJX-DTORHVGOSA-N
MFRKYEJMLQUSJX-KYZUINATSA-N
trans-4-isopropyl-cyclo-hexylamine
CCA43081
MFCD16853065
AKOS006286611
AKOS006338256
AKOS011997600
cis-4-(1-methylethyl)-cyclohexanamine
MCULE-2613416683
BS-28672
DA-39270
trans-4-(propan-2-yl)cyclohexan-1-amine
I0853
(1r,4r)-4-(propan-2-yl)cyclohexan-1-amine
D78627
D91207
EN300-109300
EN300-1721986
EN300-4282103
F2147-1878
Z995154766
Microorganism:

Yes

IUPAC name4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(CC1)N
InchiInChI=1S/C9H19N/c1-7(2)8-3-5-9(10)6-4-8/h7-9H,3-6,10H2,1-2H3
FormulaC9H19N
PubChem ID421053
Molweight141.25
LogP2.1
Atoms10
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamines nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno