Results for:
chemical Classification: amides

N,N-dimethylmethanethioamide

Compound Details

Synonymous names
N,N-dimethylthioformamide
758-16-7
Dimethylthioformamide
N,N-dimethylmethanethioamide
Methanethioamide, N,N-dimethyl-
Formamide, N,N-dimethylthio-
MFCD00004943
NN-Dimethylthioformamide
EINECS 212-060-7
NSC 402082
Formamide,N-dimethylthio-
N,N-dimethyl-thioformamide
methanethioamide, dimethyl-
HCSN(CH3)2
Methanethioamide,N-dimethyl-
CHEMBL4530853
DTXSID6061076
AMY40664
N,N-Dimethylthioformamide, >=98%
NSC402082
AKOS015850732
NSC-402082
SY030531
D3231
NS00022759
EN300-7420312
InChI=1/C3H7NS/c1-4(2)3-5/h3H,1-2H
Q24736934
Microorganism:

Yes

IUPAC nameN,N-dimethylmethanethioamide
SMILESCN(C)C=S
InchiInChI=1S/C3H7NS/c1-4(2)3-5/h3H,1-2H3
FormulaC3H7NS
PubChem ID69794
Molweight89.16
LogP0.3
Atoms5
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides sulfur compounds nitrogen compounds
Supernatural-IDSN0347761

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANAKolk et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosis7H9 OADCTD/GC-MSno


1-(2-methylazetidin-1-yl)ethanone

Compound Details

Synonymous names
1-(2-methylazetidin-1-yl)ethanone
Azetidine, 1-acetyl-2-methyl-
50837-77-9
1-(2-methylazetidin-1-yl)ethan-1-one
1-Acetyl-2-methylazetidine
1-acetyl-2-methyl-Azetidine
SCHEMBL14436404
DTXSID40336911
CHEBI:183283
IQRCHVDBTQQMCG-UHFFFAOYSA-N
DB-284703
Microorganism:

Yes

IUPAC name1-(2-methylazetidin-1-yl)ethanone
SMILESCC1CCN1C(=O)C
InchiInChI=1S/C6H11NO/c1-5-3-4-7(5)6(2)8/h5H,3-4H2,1-2H3
FormulaC6H11NO
PubChem ID537224
Molweight113.16
LogP0.3
Atoms8
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides heterocyclic compounds nitrogen compounds
CHEBI-ID183283

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


6-methyl-2-sulfanylidene-1H-pyrimidin-4-one

Compound Details

Synonymous names
methylthiouracil
6-Methyl-2-thiouracil
56-04-2
4-hydroxy-2-mercapto-6-methylpyrimidine
Thimecil
2-Mercapto-6-methylpyrimidin-4-ol
Methiocil
Alkiron
2-Thio-6-methyluracil
Thiomecil
Thiothymin
Metacil
Basethyrin
Prostrumyl
Thyreonorm
Thyreostat
Tiomeracil
Antibason
Basecil
Methacil
Methiacil
Methicil
Muracil
Orcanon
Strumacil
Thiomidil
Thioryl
Thiuryl
Tiotiron
Thyril
Thyreostat I
Tiorale M
6-Methylthiouracil
4-Methyl-2-thiouracil
4(1H)-Pyrimidinone, 2,3-dihydro-6-methyl-2-thioxo-
6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
6-Thio-4-methyluracil
Usaf ek-6454
6-Methyl-2-mercaptouracil
Uracil, 6-methyl-2-thio-
6-methyl-2-sulfanylpyrimidin-4-ol
6-Methyl-2-thiouracyl
Rcra waste number U164
6-Metil-tiouracile
2-Mercapto-4-hydroxy-6-methylpyrimidine
2-Mercapto-6-methylpyrimid-4-one
2-Mercapto-6-methylpyrimidin-4(1H)-one
Thiothyron
Muracin
Methylthiouracil [INN]
2-Thio-6-methyl-1,3-pyrimidin-4-one
2-Thio-4-oxo-6-methyl-1,3-pyrimidine
2-Mercapto-6-methyl-4-pyrimidinol
NSC 193526
NSC-193526
MTU
2,3-Dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone
2-Mercapto-6-methyl-4-pyrimidone
91795-77-6
MLS000069452
6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
DTXSID2020890
6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CHEBI:82346
QW24888U5F
NSC-9378
NSC 43815
NCGC00091124-02
Methylthiouracil (INN)
SMR000059030
Methyl thiouracil
1123-10-0
Methacil (VAN)
Alkiron (VAN)
DTXCID60890
Metacil (VAN)
WLN: T6MYMVJ BUS F1
Metiltiouracile
Metiltiouracilo
Metiltiouracile [DCIT]
Methylthiouracile
Methylthiouracilum
CAS-56-04-2
6-Methyl-2-thio-2,3H)-pyrimidinedione
6-Methyl-2-(methylthio)-4(3H)-pyrimidinone; 6-Methyl-2-(methylthio)-4-hydroxypyrimidine; 6-Methyl-2-(methylthio)-4-pyrimidone; NSC 193525; NSC 37678
CCRIS 409
6-Metil-tiouracile [Italian]
Metiltiouracilo [INN-Spanish]
Methylthiouracile [INN-French]
Methylthiouracilum [INN-Latin]
6-Methyl-2-thiouracyl [Czech]
HSDB 3366
EINECS 200-252-3
4-Hydroxy-6-methyl-2-thiopyrimidine
RCRA waste no. U164
Methylthiouracil [USP:INN]
UNII-QW24888U5F
AI3-25476
6-Methyl-2-thio-2,4-(1H3H)-pyrimidinedione
6-Methyl-2-thio-2,4-(1H,3H)-pyrimidinedione
Thimecil (TN)
Prestwick_330
Methyl-6-thiouracil
6-Methyl-4-oxo-2-thioxo1,2,3,4-tetrahydropyrimidine
Spectrum_001031
Opera_ID_172
Spectrum2_001276
Spectrum3_000676
Spectrum4_000864
Spectrum5_001325
2-Thiouracil, 6-methyl-
6-?Methyl-?2-?thiouracil
BSPBio_002371
KBioGR_001527
KBioSS_001511
METHYLTHIOURACIL [MI]
MLS002415706
MLS004491793
DivK1c_000719
SCHEMBL159989
SPECTRUM1500408
SPBio_001272
METHYLTHIOURACIL [HSDB]
METHYLTHIOURACIL [IARC]
CHEMBL1330588
METHYLTHIOURACIL [MART.]
SCHEMBL11433163
URACIL,6-METHYL,2-THIO
HMS502D21
KBio1_000719
KBio2_001511
KBio2_004079
KBio2_006647
KBio3_001591
METHYLTHIOURACIL [WHO-DD]
NSC9378
NINDS_000719
HMS1757B09
HMS1923M13
HMS2091F08
HMS2231B20
HMS3370O12
HMS3652O03
KUC108906N
Pharmakon1600-01500408
BCP21374
HY-B0513
NSC 9378
STR00648
Tox21_111088
Tox21_201870
Tox21_300497
BBL013188
CCG-39119
MFCD00006040
NSC193526
NSC757116
s3138
STL163967
STL352586
STL352692
AKOS000119183
AKOS001015710
AKOS001777669
AKOS002663079
AKOS025117304
Tox21_111088_1
4-hydroxy-6-methyl-pyrimidine-2-thiol
AM87068
CCG-214821
DB13644
KSC-27-038
MCULE-5250952546
NSC-757116
PS-4510
6-methyl-2-thioxo-1H-pyrimidin-4-one
IDI1_000719
NCGC00091124-01
NCGC00091124-03
NCGC00091124-04
NCGC00091124-05
NCGC00091124-06
NCGC00093364-02
NCGC00178683-01
NCGC00254505-01
NCGC00259419-01
4-Hydroxy-2-mercapto-6-methyl pyrimidine
6-methyl-2-sulfanylpyrimidin-4(3H)-one
AC-10803
SBI-0051446.P003
4-hydroxy-6-methylpyrimidine-2(1h)-thione
EU-0095998
M0443
NS00000054
SW088218-2
EN300-16769
4-Hydroxy-2-mercapto-6-methylpyrimidine, 95%
6-Methyl-2-thio-2,4(1H,3H)-pyrimidinedione
C19265
D07231
A830898
AC-907/30003038
SR-05000002026
2,3-dihydro-6-methyl-2-thioxopyrimidin-4(1H)-one
4[1H]-Pyrimidinone, 2,3-dihydro-6-methyl-thioxo
6-Methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
Q6824062
SR-05000002026-1
W-105535
6-Methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone #
Z56771013
6-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine
F0213-0019
F0827-0300
6-Methyl-2-thiouracil, VETRANAL(TM), analytical standard
6-Methyl-2-thiouracil, purum, >=98.0% S basis (elemental analysis)
InChI=1/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9
Microorganism:

Yes

IUPAC name6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCC1=CC(=O)NC(=S)N1
InchiInChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
FormulaC5H6N2OS
PubChem ID667493
Molweight142.18
LogP-0.2
Atoms9
Bonds0
H-bond Acceptor2
H-bond Donor2
Chemical Classificationamides nitrogen compounds sulfur compounds heterocyclic compounds thiocarbamides
CHEBI-ID82346
Supernatural-IDSN0137234

mVOC Specific Details

Volatilization
Due to a lack of data, the tendency for methylthiouracil to volatilize from water and moist near-surface soil cannot be estimated(SRC). Based upon a report that the compound readily sublimes(1), however, loss of methylthiouracil from surfaces and dry near-surface soil may occur via sublimation(SRC).
Soil Adsorption
Based upon a water solubility of 533.2 mg/l at 25 °C(1), a Koc of 138 can be calculated for methylthiouracil using a recommended regression equation(2,SRC). Based upon this estimated Koc, methylthiouracil will be expected to be highly mobile in soil(3,SRC) and will not be expected to significantly adsorb to soil, sediment or suspended particulate matter(3,SRC).
Massbank-Links

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


Pyrrolidin-2-one

Compound Details

Synonymous names
pyrrolidin-2-one
2-Pyrrolidinone
616-45-5
2-PYRROLIDONE
Pyrrolidone
Butyrolactam
2-Oxopyrrolidine
Pyrrolidon
PYRROLIDINONE
2-Ketopyrrolidine
2-Pyrol
gamma-Butyrolactam
alpha-Pyrrolidinone
4-Aminobutyric acid lactam
gamma-Aminobutyric lactam
gamma-Aminobutyrolactam
alpha-Pyrrolidone
.alpha.-Pyrrolidone
2-Tetrahydropyrrolone
gamma-Aminobutyric acid lactam
.gamma.-Aminobutyrolactam
Butanoic acid, 4-amino-, lactam
Pyrrolidone-2
pyrrolid-2-one
NSC 4593
NSC 8413
pyrrolidine-2-one
azacyclopentan-2-one
.gamma.-Butyrolactam
.alpha.-Pyrrolidinone
MFCD00005270
KKL5D39EOL
.gamma.-Aminobutyric lactam
DTXSID8027246
CHEBI:36592
NSC-4593
NSC-8413
Butanoic acid, lactam
2-Pyrrolidinone, 99%
WLN: T5MVTJ
DTXCID707246
Pyrrolidon [German]
CAS-616-45-5
HSDB 2652
EINECS 210-483-1
UNII-KKL5D39EOL
butyrolactim
pyrollidone
2pyrrolidinone
a-pyrrolidone
2-pyrollidinone
2-pyrolidinone
2-pyrrolidinon
Aminobutyrolactam
Soluphor P
pyrrolidin-2-on
2-pyrrolidin-one
pyrolidine-2-one
pyrollidin-2-one
Tetrahydropyrrolone
2-oxo-pyrrolidine
Aminobutyric lactam
2-Azacyclopentanone
2-Oxo-4-butyrolactam
Aminobutyric acid lactam
1-azacyclopentan-2-one
2-Pyrrolidone-Butyrolactam
EC 210-483-1
2-pyrrolidone for synthesis
2-Pyrrolidinone, >=99%
NCIOpen2_000687
PYRROLIDONE [MART.]
2-PYRROLIDONE [MI]
2-PYRROLIDONE [HSDB]
CHEMBL276849
FEMA NO. 4829
.gamma.-Aminobutyric acid lactam
NSC4593
NSC8413
2-Pyrol4-aminobutyric acid lactam
PYRROLIDONE [EP MONOGRAPH]
Pyrrolidin-2-one (2-Pyrrolidone)
BCP26683
HY-Y1831
EINECS 245-100-7
Tox21_201630
Tox21_303259
STL197473
AKOS000119138
FG-0424
MCULE-3061780794
2-PYRROLIDONE MFC4 H7 N1 O1
NCGC00249089-01
NCGC00257072-01
NCGC00259179-01
PD078398
POVIDONE IMPURITY B [EP IMPURITY]
2-Pyrrolidinone, purum, >=98.0% (GC)
COPOVIDONE IMPURITY A [EP IMPURITY]
Pyrrolidin-2-one (1-aza-2-cyclopentanone)
CS-0019427
NS00007032
P0575
EN300-19119
A15700
D96808
Q285640
F0001-1634
Z104472846
Hydrogen tribromide, compound with pyrrolidin-2-one (1:3)
Pyrrolidone, European Pharmacopoeia (EP) Reference Standard
InChI=1/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6
Microorganism:

Yes

IUPAC namepyrrolidin-2-one
SMILESC1CC(=O)NC1
InchiInChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
FormulaC4H7NO
PubChem ID12025
Molweight85.1
LogP-0.8
Atoms6
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds lactames heterocyclic compounds
CHEBI-ID36592
Supernatural-IDSN0130308

mVOC Specific Details

Boiling Point
DegreeReference
245 °C peer reviewed
Volatilization
The Henry's Law constant for 2-pyrrolidone is estimated as 1.06X10-9 atm-cu m/mole(SRC) from its vapor pressure, 9.49X10-3 mm Hg(1), and miscibility in water(2). This Henry's Law constant indicates that 2-pyrrolidone is expected to be essentially nonvolatile from water surfaces(3). 2-Pyrrolidone's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces will not occur(SRC). 2-Pyrrolidone is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.49X10-3 mm Hg(1).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2-pyrrolidone can be estimated to be about 17(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-pyrrolidone is expected to have very high mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYPDSPME/GC-MSno
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno


Azacyclotridecan-2-one

Compound Details

Synonymous names
Azacyclotridecan-2-one
947-04-6
Laurolactam
omega-Laurinlactam
Lauryl lactam
Dodecyllactam
Laurinolactam
2-Azacyclotridecanone
Laurin lactam
omega-Laurolactam
Nylon 12
CYCLODODECALACTAM
Dodecanolactam
2-Oxo-dodecamethylenimine
1-Aza-2-cyclotridecanone
omega-Dodecalactam
omega-Dodecanolactam
Dodecane-12-lactam
Dodecalactam
1-azacyclotridecan-2-one
Dodecanoic acid, 12-amino-, lactam
NSC 77100
.omega.-Dodecanolactam
Cyclododecanone isooxime
HSDB 5774
UNII-UB8VFC953G
EINECS 213-424-8
UB8VFC953G
.omega.-Laurolactam
BRN 0122031
.omega.-Dodecalactam
C12H23NO
Nylon-12
25038-74-8
12-Aminododecanolactam
Aza-2-cyclotridecanone
NSC-77100
12-Aminododecanoic acid lactam
DTXSID1027344
EC 213-424-8
5-21-06-00566 (Beilstein Handbook Reference)
Lauryl lactam 100 microg/mL in Acetonitrile
DTXCID107344
CAS-947-04-6
laurinlactam
laurino-lactam
2-azacylotridecanone
Aza-cyclotridecan-2-on
Dodecanoic acid, lactam
Aza-cyclotridecan-2-one
Nylon-12, monomer-based
SCHEMBL35963
trans-Azacyclotridecan-2-one
12-Aminododecanolactam, 98%
Azacyclotridecan-2-one, (E)-
CYCLODODECALACTAM [HSDB]
CHEMBL3181948
NIOSH/CL6950000
SCHEMBL17812999
CHEBI:172332
NSC77100
Tox21_202067
Tox21_303079
BBL023755
MFCD00005104
STL356004
AKOS005267133
MCULE-1851658645
Laurolactam, puriss., >=99.0% (N)
NCGC00164406-02
NCGC00257006-01
NCGC00259616-01
AS-58244
CL69500000
CS-0313348
L0092
NS00003509
D91242
Q2043636
Microorganism:

No

IUPAC nameazacyclotridecan-2-one
SMILESC1CCCCCC(=O)NCCCCC1
InchiInChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
FormulaC12H23NO
PubChem ID13690
Molweight197.32
LogP2.8
Atoms14
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides lactames nitrogen compounds heterocyclic compounds
CHEBI-ID172332
Supernatural-IDSN0165942

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANANeerincx et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusSDB + chloramphenicolTD/GC-MSno


1-methylpyrrolidin-2-one

Compound Details

Synonymous names
1-METHYL-2-PYRROLIDINONE
872-50-4
N-Methylpyrrolidone
N-Methyl-2-pyrrolidone
1-methylpyrrolidin-2-one
Methylpyrrolidone
N-Methyl-2-pyrrolidinone
1-Methyl-2-pyrrolidone
M-Pyrol
Methyl pyrrolidone
1-Methylpyrrolidone
1-Methylpyrrolidinone
N-Methylpyrrolidinone
n-methyl-pyrrolidone
2-Pyrrolidinone, 1-methyl-
1-Methyl-5-pyrrolidinone
1-Methylazacyclopentan-2-one
NMP
N-methylpyrrolidin-2-one
N-Methyl-gamma-butyrolactam
N-methyl pyrrolidone
pharmasolve
1-methylpyrrolidine-2-one
N-methyl pyrrolidinone
Methyl-2-pyrrolidinone
1-methyl-2-pyrrolidon
Methylpyrrolidinone
Agsolex 1
2-Pyrrolidinone, methyl-
2687-44-7
N-Methyl-alpha-pyrrolidone
N-Methyl-alpha-pyrrolidinone
NSC 4594
CCRIS 1633
Methylpyrrolidone [NF]
N-Methylpyrrolid-2-one
51013-18-4
DTXSID6020856
HSDB 5022
UNII-JR9CE63FPM
JR9CE63FPM
NSC-4594
Pyrol M
EINECS 212-828-1
Microposit 2001
CHEBI:7307
26138-58-9
AI3-23116
1-methyl-2-pyrolidinone
MFCD00003193
1-methyl-pyrrolidin-2-one
N-Methyl-.alpha.-pyrrolidone
CHEMBL12543
DTXCID60856
N-Methyl-.gamma.-butyrolactam
N-Methyl-.alpha.-pyrrolidinone
NSC4594
EC 212-828-1
N 0131
1-Methyl-2-pyrrolidinone, HPLC Grade
SL 1332
M 0418
METHYL PYRROLIDONE (II)
METHYL PYRROLIDONE [II]
METHYLPYRROLIDONE (USP-RS)
METHYLPYRROLIDONE [USP-RS]
N-METHYLPYRROLIDONE (MART.)
N-METHYLPYRROLIDONE [MART.]
N-METHYLPYRROLIDONE (USP-RS)
N-METHYLPYRROLIDONE [USP-RS]
N-Methylpyrrolidon
CAS-872-50-4
N-METHYLPYRROLIDONE (EP MONOGRAPH)
N-METHYLPYRROLIDONE [EP MONOGRAPH]
N-methyl-pyrrolidinone
N-Methylpyrrolidone; 1-Methylpyrrolidin-2-one
Methylpyrrolidone, N-
Pyrrolidinone, methyl-
N-Methyl-2-pyrrolidon
1-methyl-2-pyrolidone
N-methyl-pyrrolidin-2-one
1-Methyl-2-pyrrolidinone, puriss. p.a., >=99.0% (GC)
Micropure ultra
N-methylpyrolidone
N-methypyrrolidone
Max-1 peptide
N-methylpirrolidone
1methylpyrrolidinone
n-methyl pyrrolidon
N-methy pyrrolidone
N-methyl-pyrolidone
N-methyl-pyrrolidon
N-methylpyrolidinone
1-methylpyrolidinone
n-methylpyrollidinone
N-Methylpyrrolidione
N-methlypyrrolidinone
N-methyl pirrolidone
N-methyl pyrollidone
N-methyl-pyrollidone
N-methylpyrrolidone-
NMP,SP Grade
1-methyl pyrrolidone
1-methyl-pyrrolidone
methyl-2-pyrrolidone
N-methy pyrrolidinone
N-methyl pyrolidinone
N-methyl-pyrolidinone
N-methyl- pyrrolidone
N-methylpyrro-lidinone
N-methylpyrroli-dinone
N-methylpyrrolidin-one
1-methyl-2pyrrolidone
1-methyl2-pyrrolidone
1methyl-2-pyrrolidone
1-methyl pyrrolidinone
1-methyl-pyrrolidinone
methylpyrrolidin-2-one
N-methy-2-pyrrolidone
N-methyl 2-pyrolidone
N-methyl-2-pyrolidone
PYROL-M
3p1d
N-methyl 2-pyrrolidone
N-methyl-2-pyrollidone
1-methyl-2-pirrolidone
1-methyl-2-pyroldinone
1-methylpyrrolid-2-one
1methyl-2-pyrrolidinone
n-methylpyrrolidine-2one
N-methyl-2-pyrolidinone
N-methyl-2-pyrrolidinon
N-methylpyrolidin-2-one
1-methy-2-pyrrolidinone
N-methyl 2-pyrrolidinone
N-methyl-2-pyrollidinone
N-methyl-pyrrolid-2-one
N-methylpyrollidin-2-one
1 -methyl-2-pyrrolidone
1-methyl 2-pyrrolidinone
1-methyl-2-pyrollidinone
1-methyl-pyrrolin-2-one
N-Methylpyrrolidone-(2)
1-Methyl-pyrrolidin-2one
N-methylpyrrolidine-2-one
WLN: T5NVTJ A
N-methyl -2-pyrrolidinone
1 -methyl-2-pyrrolidinone
1-methyl -2-pyrrolidinone
1-methyl-2- pyrrolidinone
2-Pyrrolidone, 1-methyl-
1-methyl-pyrrolidine-2-one
1-N-methyl-2-pyrrolidinone
N-methyl-pyrrolidin -2-one
30207-69-3
1-Methylazacyclopentane-2-one
GTPL9520
1-Methyl-2- pyrrolidin-2-one
1-methyl-2-pyrrolidinone (nmp)
1-METHYLPYRROLIDONE [MI]
METHYL PYRROLIDONE [INCI]
N-METHYL-2-KETOPYRROLIDINE
HY-Y1275
Tox21_202350
Tox21_300097
1-Methyl-2-pyrrolidinone, 99.5%
1-Methyl-2-pyrrolidinone, anhydrous
BDBM50353587
N-Methyl pyrrolidon (Peptide Grade)
s6282
STL183295
N-Methyl-2-pyrrolidinone ACS reagent
AKOS000120930
1-Methyl-2-pyrrolidinone, BioSolv(R)
DB12521
MCULE-1381506705
1-Methyl-2-pyrrolidone, Reagent, ACS
1-METHYL-2-PYRROLIDINONE [HSDB]
NCGC00247902-01
NCGC00247902-02
NCGC00253935-01
NCGC00259899-01
BP-31156
DB-230823
DB-231528
1-Methyl-2-pyrrolidone (Low water content)
AM20110252
CS-0017258
M0418
M3055
NS00009178
1-Methyl-2-pyrrolidinone, analytical standard
1-Methyl-2-pyrrolidinone, anhydrous, 99.5%
1-Methyl-2-pyrrolidinone, for HPLC, >=99%
1-Methyl-2-pyrrolidinone, for synthesis, 99%
D78116
Q33103
Residual Solvent Class 2 - N-Methylpyrrolidone
1-Methyl-2-pyrrolidinone, ReagentPlus(R), 99%
1-Methyl-2-pyrrolidinone, Spectrophotometric Grade
2-PYRROLIDONE,1-METHYL MFC5 H9 N1 O1
A842053
1-Methyl-2-pyrrolidinone, ACS reagent, >=99.0%
2,5-Dichloro-4,6-dimethyl pyridine-3-carbonitrile
J-504921
J-803017
1-Methyl-2-pyrrolidinone, biotech. grade, >=99.7%
1-Methyl-2-pyrrolidinone, Electronic/Cleanroom Grade
1-Methyl-2-pyrrolidinone, p.a., ACS reagent, 99%
1-Methyl-2-pyrrolidone, anhydrous, water 40ppm max.
1-Methyl-2-Pyrrolidinon, 99.5 %, ExtraDry, AcroSeal?
1-Methyl-2-pyrrolidinone, SAJ first grade, >=98.0%
Z104478382
1-Methyl-2-pyrrolidinone, spectrophotometric grade, >=99%
1-Methyl-2-pyrrolidinone, Vetec(TM) reagent grade, 98%
InChI=1/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H
1-Methyl-2-pyrrolidinone, for metal speciation analysis, >=99.0% (GC)
Methylpyrrolidone, United States Pharmacopeia (USP) Reference Standard
N-Methylpyrrolidone, Pharmaceutical Secondary Standard; Certified Reference Material
26876-92-6
Microorganism:

Yes

IUPAC name1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O
InchiInChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
FormulaC5H9NO
PubChem ID13387
Molweight99.13
LogP-0.5
Atoms7
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides lactames nitrogen compounds heterocyclic compounds
CHEBI-ID7307
Supernatural-IDSN0342995

mVOC Specific Details

Boiling Point
DegreeReference
202 °C peer reviewed
Volatilization
The Henry's Law constant for 1-methyl-2-pyrrolidone is 3.20X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-methyl-2-pyrrolidone is expected to be essentially nonvolatile from water surfaces(2). 1-Methyl-2-pyrrolidone's Henry's Law constant indicates that volatilization from moist soil surfaces may not occur(SRC). 1-Methyl-2-pyrrolidone is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.345 mm Hg(3).
Soil Adsorption
The Koc of 1-methyl-2-pyrrolidone is estimated as 5(SRC), using a log Kow of -0.38(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-methyl-2-pyrrolidone is expected to have very high mobility in soil. 1-Methyl-2-pyrrolidinone had Rf values of 0.74, 0.65, 0.67, and 1.0 in silt, loam, clay and sand, respectively, in laboratory soil thin layer chromatography (TLC) experiments(4) which is consistent with significant mobility in soil(SRC).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANADixon et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBTD/GC-MSno


Piperidin-2-one

Compound Details

Synonymous names
2-Piperidone
piperidin-2-one
675-20-7
DELTA-VALEROLACTAM
2-Piperidinone
Valerolactim
5-Pentanolactam
Piperidone
Piperidinone
Valerolactam
Piperidon
alpha-Piperidone
Piperidone-2
PIPERIDONE,2-
.alpha.-Piperidone
2-oxopiperidine
2-Azacyclohexanone
Piperidon [German]
Pentanoic acid, 5-amino-, lactam
.delta.-Valerolactam
2-oxo-piperidine
NSC 2305
NSC 18894
WLN0GQQ6EK
MFCD00006037
CHEMBL12193
27154-43-4
CHEBI:77761
NSC-2305
NSC18894
Piperidon (german)
NSC-18894
Pentanoic acid, lactam
WLN: T6NVTJ
Piperidones
Piperidone-2 [French]
d-Valerolactam
UNII-WLN0GQQ6EK
EINECS 211-622-9
75-20-7
ketopiperidine
oxopiperidine
5-pentanelactam
2-piperadinone
A-Piperidone
AI3-33342
d-Valero-lactam
piperadine-2-one
piperidine-2-one
delta -Valerolactam
V1L
5-amino-lactam-Pentanoate
delta-Valerolactam, 98%
BDBM10
5-amino-lactam-Pentanoic acid
piperidin-2-one;2-Piperidone
DTXSID1060976
NSC2305
BCP00878
Piperidin-2-one; delta-Valerolactam
BBL027557
STL281850
AKOS005206867
CS-W022933
HY-W042193
MCULE-9168245534
SB41073
AC-15619
AC-33837
NCI60_001574
SY011119
DB-031244
A9047
AM20100626
NS00015672
P0455
EN300-24025
F10312
Q4596918
W-104710
F0001-1780
Z168817684
InChI=1/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7
25036-00-4
Microorganism:

Yes

IUPAC namepiperidin-2-one
SMILESC1CCNC(=O)C1
InchiInChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
FormulaC5H9NO
PubChem ID12665
Molweight99.13
LogP-0.5
Atoms7
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides lactames heterocyclic compounds nitrogen compounds
CHEBI-ID77761
Supernatural-IDSN0440743

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Amyloliquefaciensstimulate growth of Solanum tuberosumcommercial strainHeenan-Daly et al. 2021
ProkaryotaBacillus Toyonensisstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaBacillus Mycoidesstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Fonticolastimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaStreptomyces Rocheiinhibited the mycelial growth of Lasiodiplodia theobromae L26NASudha et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus AmyloliquefaciensMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus ToyonensisMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus MycoidesMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaSerratia FonticolaMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaStreptomyces Rocheistarch casein agarSPME/GC-MSno


N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide

Compound Details

Synonymous names
N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide
IUVDTSFQJOFWAJ-UHFFFAOYSA-N
STK736508
AKOS001403176
MCULE-6021741822
N-[2-(2-furyl)ethyl]thiophene-2-carboxamide
2-Thiophenecarboxamide, N-[2-(2-furanyl)ethyl]-
Z32866046
Microorganism:

Yes

IUPAC nameN-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide
SMILESC1=COC(=C1)CCNC(=O)C2=CC=CS2
InchiInChI=1S/C11H11NO2S/c13-11(10-4-2-8-15-10)12-6-5-9-3-1-7-14-9/h1-4,7-8H,5-6H2,(H,12,13)
FormulaC11H11NO2S
PubChem ID5305681
Molweight221.28
LogP2.3
Atoms15
Bonds4
H-bond Acceptor3
H-bond Donor1
Chemical Classificationamides heterocyclic compounds ethers sulfur compounds nitrogen compounds thioethers amines aromatic compounds furan derivatives

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


N-(3-methylpentyl)acetamide

Compound Details

Synonymous names
SCHEMBL8435124
AKOS006356592
Microorganism:

Yes

IUPAC nameN-(3-methylpentyl)acetamide
SMILESCCC(C)CCNC(=O)C
InchiInChI=1S/C8H17NO/c1-4-7(2)5-6-9-8(3)10/h7H,4-6H2,1-3H3,(H,9,10)
FormulaC8H17NO
PubChem ID53827991
Molweight143.23
LogP1.8
Atoms10
Bonds4
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSphingopyxis Litorisisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSphingopyxis Litorismarine broth agarOSSA/GC-MSno


(E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide

Compound Details

Synonymous names
CHEMBL2287715
(e)-N-isobutylundeca-2-en-8,10-diynamide
C15H21NO
N-Isobutylundeca-2(E)-en-8,10-diynamide
SCHEMBL4909511
SCHEMBL4909518
YKYOIMJLSMZUBA-VAWYXSNFSA-N
BDBM50532218
N-Isobutylundeca-2(E)-ene-8,10-diynamide
(2E)-N-Isobutyl-2-undecene-8,10-diynamide #
99615-81-3
Microorganism:

Yes

IUPAC name(E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide
SMILESCC(C)CNC(=O)C=CCCCCC#CC#C
InchiInChI=1S/C15H21NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,11-12,14H,7-10,13H2,2-3H3,(H,16,17)/b12-11+
FormulaC15H21NO
PubChem ID5368482
Molweight231.33
LogP3.6
Atoms17
Bonds8
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds
Supernatural-IDSN0453232-02

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces ThermocarboxydusNANAPassari et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Thermocarboxydusactinomycetes isolation agar (AIA)GC-MSno


N-(2-methylpropyl)propanamide

Compound Details

Synonymous names
n-isobutylpropionamide
5827-75-8
N-(2-methylpropyl)propanamide
Propanamide, N-isobutyl
MFCD01345651
NSC406183
NCIOpen2_003731
SCHEMBL564899
DTXSID50324268
QTVUDNOFBZLOHM-UHFFFAOYSA-N
AC2518
AKOS003852810
NSC-406183
CS-11986
DA-42026
SY034683
CS-0152594
A869487
Microorganism:

Yes

IUPAC nameN-(2-methylpropyl)propanamide
SMILESCCC(=O)NCC(C)C
InchiInChI=1S/C7H15NO/c1-4-7(9)8-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
FormulaC7H15NO
PubChem ID347479
Molweight129.2
LogP1.3
Atoms9
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaAlgihabitans Albusisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaAlgihabitans Albusmarine broth agarOSSA/GC-MSno


N-butan-2-ylformamide

Compound Details

Synonymous names
53798-89-3
N-(butan-2-yl)formamide
Formamide, N-(1-methylpropyl)-
N-sec-Butylformamide
N-(2-Butyl)formamide
Formamide, N-sec-butyl-
NSC-404523
sec-butylformamide
NSC404523
H6SPH3V46T
SCHEMBL25180
DTXSID00323645
N-(1-METHYLPROPYL)FORMAMIDE
AKOS006274294
MCULE-2197007756
DB-321271
EN300-211462
Microorganism:

No

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
Molweight101.15
LogP0.9
Atoms7
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds

mVOC Specific Details


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


N-(2-methylbutyl)acetamide

Compound Details

Synonymous names
n-(2-methylbutyl)acetamide
54824-90-7
N-(2-methylbutyl)-acetamide
Acetamide, N-(2-methylbutyl)-
NSC156658
SCHEMBL799657
Acetamide, N-(2-methylbutyl)
DTXSID20303106
UBERLXYRZNEDEB-UHFFFAOYSA-N
AKOS006359579
NSC-156658
Microorganism:

Yes

IUPAC nameN-(2-methylbutyl)acetamide
SMILESCCC(C)CNC(=O)C
InchiInChI=1S/C7H15NO/c1-4-6(2)5-8-7(3)9/h6H,4-5H2,1-3H3,(H,8,9)
FormulaC7H15NO
PubChem ID291446
Molweight129.2
LogP1.2
Atoms9
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaAlgihabitans Albusisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaAlgihabitans Albusmarine broth agarOSSA/GC-MSno


N-(3-methylbutyl)formamide

Compound Details

Synonymous names
N-Isopentylformamide
10285-87-7
n-(3-methylbutyl)formamide
Isoamylformamid
NSC77945
N-(3-methylbutyl)ormamide
SCHEMBL269241
Formamide,n-(3-methylbutyl)-
CHEBI:220059
WRWGCPXFAJKWDW-UHFFFAOYSA-N
NSC-77945
AKOS006348112
DS-001864
Microorganism:

Yes

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
Molweight115.17
LogP1.2
Atoms8
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds
CHEBI-ID220059
Supernatural-IDSN0418355

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStigmatella Aurantiacan/an/ano


3,3-dimethylbutanamide

Compound Details

Synonymous names
3,3-Dimethylbutanamide
926-04-5
t-Butylacetamide
3,3-Dimethyl-butyramide
CHEMBL170283
Butanamide, 3,3-dimethyl-
3,3-DIMETHYLBUTYRAMIDE
NSC1145
3,3-dimethyl-butanamide
3,3-Dimethylbutanamide #
SCHEMBL125115
SCHEMBL16079787
DTXSID30277208
NSC-1145
BDBM50224827
NSC165573
NSC400229
STL071236
AKOS000504386
MCULE-5884141657
NSC-165573
NSC-400229
NCI60_003731
CS-0248453
EN300-39930
G29654
Z278515142
Microorganism:

Yes

IUPAC name3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N
InchiInChI=1S/C6H13NO/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H2,7,8)
FormulaC6H13NO
PubChem ID219625
Molweight115.17
LogP0.8
Atoms8
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides 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


N-(2-methylpropyl)acetamide

Mass-Spectra

Compound Details

Synonymous names
N-(2-Methylpropyl)acetamide
N-Isobutylacetamide
1540-94-9
N-(2-Methyl-2-propyl)ethanamide
N-Acetyl-2-methyl-1-propaneamine
Acetamide, N-isobutyl-
Acetamide, N-(2-methylpropyl)-
N-Isobutyl-Acetamide
03RBP530AC
NSC-156655
UNII-03RBP530AC
Acetylisobutylamine
NSC156655
SCHEMBL91326
N-(2-Methylpropyl)-Acetamide
N-(2-Methyl-propyl)ethanamide
DTXSID90165516
CHEBI:179639
VDQMVRFHUYAKJL-UHFFFAOYSA-N
N-(2-Methylpropyl)acetamide, 9CI
AKOS003855864
NSC 156655
Q27247578
Microorganism:

Yes

IUPAC nameN-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C
InchiInChI=1S/C6H13NO/c1-5(2)4-7-6(3)8/h5H,4H2,1-3H3,(H,7,8)
FormulaC6H13NO
PubChem ID137071
Molweight115.17
LogP0.9
Atoms8
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds
CHEBI-ID179639
Supernatural-IDSN0387515

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSphingopyxis Litorisisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaAlgihabitans Albusisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaStreptomyces Sp.NAJones et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSphingopyxis Litorismarine broth agarOSSA/GC-MSno
ProkaryotaAlgihabitans Albusmarine broth agarOSSA/GC-MSno
ProkaryotaStreptomyces Sp.YPD agarGCxGC-TOFMSno


N-(3-methylbutyl)acetamide

Mass-Spectra

Compound Details

Synonymous names
N-(3-Methylbutyl)acetamide
N-Isopentylacetamide
13434-12-3
Acetamide, N-(3-methylbutyl)-
n-(iso-pentyl)acetamide
B07X8XNE8T
NSC-156656
UNII-B07X8XNE8T
NSC 156656
NSC156656
n-3-methylbutylacetamide
AI3-35871
N-(3Metylbutiyl) Acetamide
SCHEMBL800814
DTXSID10158662
CHEBI:166455
MFCD00043542
AKOS003799421
CS-0334392
Q27274221
Microorganism:

Yes

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
Molweight129.2
LogP1.2
Atoms9
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds
CHEBI-ID166455
Supernatural-IDSN0441686

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSphingopyxis Litorisisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaAlgihabitans Albusisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.NAJones et al. 2017
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSphingopyxis Litorismarine broth agarOSSA/GC-MSno
ProkaryotaAlgihabitans Albusmarine broth agarOSSA/GC-MSno
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaStreptomyces Sp.YPD agarGCxGC-TOFMSno


N-(acetamidomethyl)acetamide

Compound Details

Synonymous names
N,N'-Methylenediacetamide
3852-14-0
N-(acetamidomethyl)acetamide
Acetamide,N,N'-methylenebis-
N,N'-METHYLENEBISACETAMIDE
NSC-1002
NMDAD
Meco-gly psi(NH-CO)nhme
Diacetamidomethane
N-[(Acetylamino)methyl]acetamide
Methylenebisacetamide
Methylene diacetamide
starbld0011343
AI3-62274
N,N'-methanediyldiacetamide
F2W2DG4LA7
N,N'-Diacetylmethylenediamine
N,N'-Methylenebis[acetamide]
SCHEMBL170514
Acetamide, N,N'-methylenebis-
DTXSID20191848
NSC1002
RRSCVDMNAXVDSV-UHFFFAOYSA-N
Methylene diamine, N,N'-diacetyl-
NSC 1002
N-[(Acetylamino)methyl]acetamide #
STK371973
AKOS005446607
MCULE-3469911833
A3098
Microorganism:

Yes

IUPAC nameN-(acetamidomethyl)acetamide
SMILESCC(=O)NCNC(=O)C
InchiInChI=1S/C5H10N2O2/c1-4(8)6-3-7-5(2)9/h3H2,1-2H3,(H,6,8)(H,7,9)
FormulaC5H10N2O2
PubChem ID77460
Molweight130.15
LogP-1
Atoms9
Bonds2
H-bond Acceptor2
H-bond Donor2
Chemical Classificationamides nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces ThermocarboxydusNANAPassari et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Thermocarboxydusactinomycetes isolation agar (AIA)GC-MSno


Octadecanamide

Mass-Spectra

Compound Details

Synonymous names
Octadecanamide
Stearamide
124-26-5
STEARIC ACID AMIDE
Octadecamide
Octadecylamide
Stearoylamide
Stearoylamine
Stearylamide
Stearic amide
Kemamide S
Adogen 42
Crodamide S
Petrac vyn-eze
Amide T
NSC 66462
Amide C18
Armid 18
CHEBI:34900
Octadecanoic acid amide
YQX129FH1U
NSC-66462
CCRIS 6866
HSDB 723
EINECS 204-693-2
UNII-YQX129FH1U
BRN 0909006
AI3-10003
Crodamide SR
Crodamide S, SR
ORISTAR STA
Amide C-18
STEARAMIDE [INCI]
EC 204-693-2
SCHEMBL27869
CHEMBL88311
DTXSID9027025
SCHEMBL20752935
STEARIC ACID AMIDE [HSDB]
NSC66462
BDBM50463974
LMFA08010003
MFCD00008038
STL453616
AKOS015843174
Octadecanamide, technical grade, 85%
HY-W130610
MCULE-4542342972
STEARAMIDE (STEARIC ACID AMIDE)
NCGC00164016-01
BS-42312
CS-0196615
NS00003249
EN300-83818
E82323
A805214
90.0% pound Contains C16, C18 amides pound(c)
J-005061
J-523821
Q27116315
Z1245693822
Fatty acid amide pound Contains C16, C18 amides pound(c)
Stearamide; Stearlyamide; Stearic Acid Amide; Octadecylamide
Microorganism:

Yes

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
LogP6.8
Atoms20
Bonds16
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds
CHEBI-ID34900
Supernatural-IDSN0218991

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
Volatilization
The Henry's Law constant for stearic acid amide is estimated as 1.0X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that stearic acid amide is not expected to volatilize from water surfaces and moist soil surfaces(2). Additionally, volatilization from water surfaces and moist soil surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). Stearic acid amide is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 6.7X10-7 mm Hg(SRC), determined from a fragment constant method(1).
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
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of stearic acid amide can be estimated to be 4.6X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that stearic acid amide is expected to be immobile in soil.
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno


N,N-dimethyloctanamide

Mass-Spectra

Compound Details

Synonymous names
N,N-Dimethyloctanamide
1118-92-9
N,N-Dimethylcaprylamide
OCTANAMIDE, N,N-DIMETHYL-
NN-Dimethylcaprylamide
QO63R4XJMK
DTXSID9027364
EINECS 214-272-5
BRN 1754903
NN-Dimethyloctanamide
UNII-QO63R4XJMK
AI3-26660
N,N-dimethyloctanoylamide
EC 214-272-5
SCHEMBL168214
DTXCID707364
CHEMBL3181960
CAPRYLAMIDE, N,N-DIMETHYL-
Tox21_301930
MFCD00043763
AKOS006228697
MCULE-6939177208
NCGC00255366-01
AS-10132
CAS-1118-92-9
DB-080742
CS-0152293
NS00009475
S10478
A802439
W-109644
Q27287393
Microorganism:

Yes

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
Molweight171.28
LogP3
Atoms12
Bonds6
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides nitrogen compounds

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisantibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLBSPME-GC-MSno