Results for:
chemical Classification: amides

Acetamide

Mass-Spectra

Compound Details

Synonymous names
acetamide
60-35-5
Ethanamide
Acetic acid amide
Methanecarboxamide
Acetimidic acid
Ethanimidic acid
Amide C2
Amid kyseliny octove
Caswell No. 003H
Acetimidic acid (VAN)
CCRIS 2
NCI-C02108
HSDB 4006
CH3CONH2
AI3-02060
8XOE1JSO29
DTXSID7020005
CHEBI:27856
MFCD00008023
NSC-25945
acetamid
acetoamide
Amid kyseliny octove [Czech]
EINECS 200-473-5
NSC 25945
UNII-8XOE1JSO29
acetylamine
BRN 1071207
Essigsaeureamid
Ethanamid
imidoacetic acid
N-Methylformamde
Acetamide, >=98%
ACETAMIDE [MI]
ACETAMIDE [FHFI]
ACETAMIDE [HSDB]
ACETAMIDE [IARC]
Lopac-A-0500
bmse000825
bmse000895
DTXCID505
EC 200-473-5
ACETAMIDE [WHO-DD]
Acetamide, sublimed, 99%
WLN: ZV1
Acetic acid amide;Ethanamide
Acetamide, ~99% (GC)
Lopac0_000003
4-02-00-00399 (Beilstein Handbook Reference)
MLS002153504
Acetamide, analytical standard
BIDD:ER0566
CHEMBL16081
GTPL4661
FEMA NO. 4251
Acetamide, crystalline, >=99%
CHEBI:49028
Acetamide, >=98.0% (GC)
Acetamide, >=99.0% (GC)
HMS3260A07
Acetamide (6CI,7CI,8CI,9CI)
BCP26153
HY-Y0946
NSC25945
STR01066
Tox21_300776
Tox21_500003
s6011
STL283915
AKOS000118788
AKOS015917387
CCG-204099
DB02736
LP00003
MCULE-9280264861
SDCCGSBI-0049992.P002
99.8% pound notpurified by sublimation
CAS-60-35-5
Benzeneacetic?acid,?|A-amino-4-methyl-
NCGC00015030-01
NCGC00015030-02
NCGC00015030-03
NCGC00015030-04
NCGC00015030-05
NCGC00015030-06
NCGC00093530-01
NCGC00093530-02
NCGC00254680-01
NCGC00260688-01
SMR000326670
DB-342147
A0007
CS-0015934
EU-0100003
NS00006888
EN300-15608
A 0500
C06244
A832706
Q421721
SR-01000076247
J-523678
SR-01000076247-1
Acetamide, zone-refined, purified by sublimation, 99%
InChI=1/C2H5NO/c1-2(3)4/h1H3,(H2,3,4
Z33546370
F1908-0077
02U
74330-92-0
Microorganism:

Yes

IUPAC nameacetamide
SMILESCC(=O)N
InchiInChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
FormulaC2H5NO
PubChem ID178
Molweight59.07
LogP-0.9
Atoms4
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds
CHEBI-ID27856
Supernatural-IDSN0068759

mVOC Specific Details

Boiling Point
DegreeReference
222 °C peer reviewed
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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Sp.Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaStenotrophomonas MaltophiliaInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaAlcaligenes FaecalisInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaArthrobacter NitroguajacolicusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaLysobacter GummosusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
ProkaryotaSporosarcina GinsengisoliInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.NAZou et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Sp.n/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaAlcaligenes Faecalisn/an/ano
ProkaryotaArthrobacter Nitroguajacolicusn/an/ano
ProkaryotaLysobacter Gummosusn/an/ano
ProkaryotaSporosarcina Ginsengisolin/an/ano


Carbamic Acid

Compound Details

Synonymous names
CARBAMIC ACID
463-77-4
Aminoformic acid
imidocarbonic acid
aminocarboxylic acid
O0UC6XOS4H
CHEBI:28616
Aminoameisensaeure
Aminomethanoic Acid
UNII-O0UC6XOS4H
Aminoformate
Carbamidsaeure
ammoniocarboxylate
Carbonimidic acid
ISOCARBAMIC ACID
azanium carbamate hydrate
IMINOCARBONIC ACID
FORMIC ACID, AMINO-
CHEMBL125278
DTXSID5048009
BDBM50369454
AKOS006223007
DB04261
NCGC00166327-01
NS00003466
C01563
EN300-379173
Q412078
VQO
Microorganism:

Yes

IUPAC namecarbamic acid
SMILESC(=O)(N)O
InchiInChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)
FormulaCH3NO2
PubChem ID277
Molweight61.04
LogP-0.8
Atoms4
Bonds0
H-bond Acceptor2
H-bond Donor2
Chemical Classificationnitrogen compounds amides carboxylic acids amines amino acids
CHEBI-ID28616
Supernatural-IDSN0197800

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansNAKarami et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno


Formamide

Mass-Spectra

Compound Details

Synonymous names
formamide
75-12-7
Methanamide
carbamaldehyde
Formimidic acid
Formic acid, amide
formamid
Methanoic acid, amide
Methanimidic acid
Amid kyseliny mravenci
NSC 748
HSDB 88
Methanamid
CCRIS 6240
Amid kyseliny mravenci [Czech]
DTXSID8025337
Formic amide
Ameisensaeureamid
AI3-15357
Methanamide;Formimidic acid
EINECS 200-842-0
Amide C1
Formamide (deionizde)
UNII-4781T907ZS
CHEBI:16397
NSC-748
HCONH2
MFCD00007941
4781T907ZS
DTXCID805337
Formamide-13C-15N (9CI)
EC 200-842-0
60100-09-6
FORMAMIDE (USP-RS)
FORMAMIDE [USP-RS]
CAS-75-12-7
Formamide, puriss. p.a., ACS reagent, >=99.5% (GC/T)
imidoformic acid
N-formyl amine
amino-formaldehyde
primary carboxamide
Imino-methylalkohol
Formamide,Deionized
primary carboxamides
MB8
Formamide, ACS reagent
NH2CHO
FORMAMIDE [MI]
FORMAMIDE [HSDB]
WLN: ZVH
bmse000267
Formamide, >=99.0%
Formamide, >=99.5%
Formamide, p.a., 99.5%
CHEMBL266160
GTPL4739
NSC748
Formamide, reagent grade, 98%
CHEBI:48431
HY-Y0842B
AMY3583
CHEBI:140324
DTXSID001318680
Formamide, Spectrophotometric Grade
HY-Y0842
Tox21_201942
Tox21_302824
STL197469
Formamide, ACS reagent, >=99.5%
Formamide, BioXtra, >=99% (GC)
AKOS009031608
Residual Solvent Class 2 - Formamide
MCULE-4202420620
Formamide, SAJ first grade, >=98.5%
NCGC00091516-01
NCGC00091516-02
NCGC00256321-01
NCGC00259491-01
Formamide, p.a., ACS reagent, 99.5%
Formamide, JIS special grade, >=98.5%
Formamide, Vetec(TM) reagent grade, 98%
DB-055937
CS-0015817
CS-0898265
F0045
Formamide, spectrophotometric grade, >=99%
NS00008593
EN300-19895
Formamide, ReagentPlus(R), >=99.0% (GC)
C00488
InChI=1/CH3NO/c2-1-3/h1H,(H2,2,3
A838330
Q283917
J-521386
Q27110288
F0001-1892
Formamide, BioUltra, for molecular biology, >=99.5% (T)
Formamide, for molecular biology, >=99.5% (GC), liquid
Formamide, >=99.5% (GC), BioReagent, for molecular biology
Formamide; Carbamaldehyde; Formimidic acid; Methanamide; NSC 748
Microorganism:

Yes

IUPAC nameformamide
SMILESC(=O)N
InchiInChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
FormulaCH3NO
PubChem ID713
Molweight45.041
LogP-0.8
Atoms3
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds
CHEBI-ID16397
Supernatural-IDSN0470545

mVOC Specific Details

Boiling Point
DegreeReference
210.5 °C peer reviewed
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

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Fluorescenspromotes growth of non-infected Atractylodes lanceafrom geo-authentic Atractylodes lanceaZhou et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas FluorescensMS rooting agarGC/MS + comparison to NISTno


N-phenylacetamide

Compound Details

Synonymous names
acetanilide
N-Phenylacetamide
103-84-4
Acetamidobenzene
Antifebrin
Acetanilid
Acetanil
Acetylaniline
N-Acetylaniline
Acetamide, N-phenyl-
Phenalgene
Acetic acid anilide
Acetylaminobenzene
Acetoanilide
Phenalgin
Aniline, N-acetyl-
Benzenamine, N-acetyl-
USAF EK-3
N-acetylarylamine
NSC 7636
N-Acetylaminobenzene
Acetanilidum
Antifebrinum
Caswell No. 003E
AN [Analgesic]
Acetic acid amide, N-phenyl-
Ethananilide
CCRIS 4452
Acetanilide (Antifebrin)
HSDB 2665
NSC-7636
EINECS 203-150-7
UNII-SP86R356CC
MFCD00008674
N-Phenyl-acetamide
SP86R356CC
DTXSID2022543
CHEBI:28884
AI3-01045
Acetanilide (Acetylaniline)
NSC-203231
DTXCID602543
NSC7636
AN (Analgesic)
N-Phenylacetamide;N-Phenylacetamide
Acetamide, N-(phenyl-13C6)-
NCGC00091326-01
ACETANILIDE MELTING POINT STANDARD
ACETANILIDE (MART.)
ACETANILIDE [MART.]
ACETANILIDE (USP-RS)
ACETANILIDE [USP-RS]
N-Phenylacetamide (Acetanilide)
N-phenylethanamide
Acetanilide [NF]
CAS-103-84-4
SMR001306799
PARACETAMOL IMPURITY D (EP IMPURITY)
PARACETAMOL IMPURITY D [EP IMPURITY]
PhNHAc
N-phenyl acetamide
Acetanilide, 99%
Spectrum_000178
AZOBENZENE_met003
ACETANILIDE [MI]
Spectrum2_001434
Spectrum3_000935
Spectrum4_001034
Spectrum5_000989
ACETANILID [INCI]
ACETANILIDE [HSDB]
WLN: 1VMR
ACETANILIDE [VANDF]
ACETANILIDUM [HPUS]
SCHEMBL24681
ACETANILIDE [WHO-DD]
KBioGR_001587
KBioSS_000658
MLS002207284
MLS002415707
DivK1c_000073
SPECTRUM1501173
SPBio_001568
CHEMBL269644
SCHEMBL14255226
Acetanilide, LR, >=98.5%
HMS500D15
KBio1_000073
KBio2_000658
KBio2_003226
KBio2_005794
KBio3_001970
purified by sublimation, 99.8%
NINDS_000073
ACETIC ACID,AMIDE,N-PHENYL
BCPP000440
HMS1921N07
HMS2092J11
HMS2234E18
HMS3374L04
HMS3651D07
Pharmakon1600-01501173
BCP02363
Tox21_111113
Tox21_200925
CCG-38984
NSC757879
s2538
STK046402
AKOS000121114
Tox21_111113_1
ACETIC ACID, AMIDE, N-PHENYL-
BCP9000226
MCULE-1268638727
NSC-757879
Acetanilide, NIST(R) SRM(R) 141d
IDI1_000073
NCGC00091326-02
NCGC00091326-03
NCGC00091326-04
NCGC00091326-06
NCGC00258479-01
AS-13389
SBI-0051673.P002
CS-0010112
NS00003596
SW220057-1
EN300-26568
C07565
D72485
AB00052235_07
AB00052235_08
Acetanilide, purified by sublimation, >=99.9%
Acetanilide, puriss. p.a., >=99.5% (CHN)
AH-034/32461060
Q421761
SR-05000001777
Q-200578
SR-05000001777-1
BRD-K11094367-001-04-4
Z27782600
F0808-0907
Acetanilide, zone-refined, purified by sublimation, >=99.95%
Acetanilide Melting Point Standard, United States Pharmacopeia (USP) Reference Standard
InChI=1/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10
Acetanilide melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC nameN-phenylacetamide
SMILESCC(=O)NC1=CC=CC=C1
InchiInChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
FormulaC8H9NO
PubChem ID904
Molweight135.16
LogP1.2
Atoms10
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds amides benzenoids nitrogen compounds
CHEBI-ID28884
Supernatural-IDSN0099470

mVOC Specific Details

Boiling Point
DegreeReference
304 °C peer reviewed
Volatilization
The Henry's Law constant for acetanilide is estimated as 6.2X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that acetanilide will be essentially nonvolatile from water surfaces(2,SRC). Acetanilide's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces may not occur(SRC). The potential for volatilization of acetanilide from dry soil surfaces may not exist(SRC) based on the extrapolated vapor pressure of 1.2X10-3 mm Hg(3,SRC).
Soil Adsorption
The Koc of acetanilide is estimated as approximately 38(SRC), using an experimental log Kow of 1.16(1,SRC) and a regression-derived equation(2,SRC). A Koc of 27 was experimentally determined for acetanilide, using silt loam and sandy loam, with % organic matter ranging from 1.09-5.92 (Kom was converted to Koc by multiplying by 1.724), and pH ranging from 5.9-7.5(4). According to a recommended classification scheme(3), the estimated and measured Koc values suggest that acetanilide has very high mobility in soil(SRC).
Massbank-Links
Massbank Spectrum MSBNK-BAFG-CSL2311095708
Massbank Spectrum MSBNK-BAFG-CSL2311095709
Massbank Spectrum MSBNK-BAFG-CSL2311095710
Massbank Spectrum MSBNK-BAFG-CSL2311095711
Massbank Spectrum MSBNK-BAFG-CSL2311095712
Massbank Spectrum MSBNK-BAFG-CSL2311095713
Massbank Spectrum MSBNK-BAFG-CSL2311095714
Massbank Spectrum MSBNK-BAFG-CSL2311095715
Massbank Spectrum MSBNK-BAFG-CSL2311095716
Massbank Spectrum MSBNK-BAFG-CSL2311095717
Massbank Spectrum MSBNK-BAFG-CSL2311095718
Massbank Spectrum MSBNK-BAFG-CSL2311095719
Massbank Spectrum MSBNK-BAFG-CSL2311095720
Massbank Spectrum MSBNK-BAFG-CSL2311095721
Massbank Spectrum MSBNK-BAFG-CSL2311095722
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010523
Massbank Spectrum MSBNK-Keio_Univ-KO000195
Massbank Spectrum MSBNK-Keio_Univ-KO000196
Massbank Spectrum MSBNK-Keio_Univ-KO000197
Massbank Spectrum MSBNK-Keio_Univ-KO000198
Massbank Spectrum MSBNK-Keio_Univ-KO000199
Massbank Spectrum MSBNK-Keio_Univ-KO002293
Massbank Spectrum MSBNK-Keio_Univ-KO002294
Massbank Spectrum MSBNK-Keio_Univ-KO002295
Massbank Spectrum MSBNK-Keio_Univ-KO002296
Massbank Spectrum MSBNK-Keio_Univ-KO002297

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisantifungal activity against Alternaria solaniisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes


Urea

Compound Details

Synonymous names
urea
57-13-6
carbamide
Isourea
Carbonyldiamide
Ureophil
Carbonyldiamine
Ureaphil
Carbamimidic acid
Urevert
Alphadrate
Aquadrate
Carbaderm
Keratinamin
Pseudourea
Carbonyl diamide
Calmurid
Pastaron
Urepearl
Carbamide resin
Ultra Mide
Varioform ii
Aqua Care
Harnstoff
Mocovina
Nutraplus
Prespersion, 75 urea
B-I-K
Supercel 3000
Aqua Care HP
basodexan
carmol
Ureacin-10 lotion
Ureacin-20
Ureacin-40 Creme
Caswell No. 902
Onychomal
Panafil
Hyanit
NCI-C02119
Antisepsis bolus
Elaqua xx
Sterile Urea
Carbonyl Diamine
Keratinamin Kowa
CCRIS 989
HSDB 163
Benural 70
aminoketone
NSC 34375
uree
Isoharnstoff
Aquacare
Karbamid
Urepeal
EPA Pesticide Chemical Code 085702
Ureum
Carbamimic acid
Urea perhydrate
Bubber shet
Urepeal L
AI3-01202
37955-36-5
EINECS 200-315-5
UR
NSC-34375
Pastaron 10
Pastaron 20
Pastaron 20 soft
INS NO.927A
E927b
INS-927A
DTXSID4021426
UNII-8W8T17847W
CHEBI:16199
Urea-18O
Urea [USP:JAN]
Carbamide;Carbonyldiamide
E-927A
MFCD00008022
8W8T17847W
Azodicarboxylic acid-diamide
H2NC(O)NH2
H2N-C(OH)=NH
U-CORT COMPONENT UREA
H2N-C(=NH)-OH
HO-C(=NH)-NH2
(NH2)2CO
ALPHADERM COMPONENT UREA
DTXCID901426
4744-36-9
CARMOL HC COMPONENT UREA
CHEBI:48376
CALMURID HC COMPONENT UREA
EC 200-315-5
NSC34375
NCGC00090892-01
Urea (USP:JAN)
UREA (USP-RS)
UREA [USP-RS]
UREA (II)
UREA (MART.)
UREA [II]
UREA [MART.]
Mocovina [Czech]
UREA (EP MONOGRAPH)
UREA (USP IMPURITY)
UREA [EP MONOGRAPH]
UREA [USP IMPURITY]
UREA (USP MONOGRAPH)
UREA [USP MONOGRAPH]
3138-51-0
URE
Harnstoff [German]
Urea [JAN]
CAS-57-13-6
ALLANTOIN IMPURITY B (EP IMPURITY)
ALLANTOIN IMPURITY B [EP IMPURITY]
FLUOROURACIL IMPURITY G (EP IMPURITY)
FLUOROURACIL IMPURITY G [EP IMPURITY]
UREA, ACS
isoureas
Lanaphilic
Cerovel
Protexa
Uroderm
Vanamide
Uremol
UterCleanse
amino ketone
amino-ketone
Xurea
Pastaron soft
Urea, ultrapure
Cem-urea
Aquacare HP
Urea Foam
Carbamide solution
Umecta MousseUrea
beta-I-k
Pastaron (TN)
Urea 40 Percent
carbonamidimidic acid
Carmol 40
Uremol 20% cream
NIMIN
RYNODERM
Cerovel (Salt/Mix)
Panafil (Salt/Mix)
Urea 39% Cream
Urea 47% Cream
Urea Cream 40%
Urea Cream 41%
Clear 40
Urea 40 Nail Gel
Bare 40 Plus HA
Clear 50 Nail Gel
Rubinol ST 010
Urea 40 Plus HA
Urea, p.a.
AFTER-BIRTH
Clear 40 Plus HA
Optigen 1200
Urea Hydrating Topical
CLEAN-UP
Urea, 2M
Urea,(S)
Bare 20
Bare 40
Spectrum_000672
Urea 20
Urea 40
Bare 40 HA
Bare 40 SA
URE-K
INTRAUTERINE BOLUS
UREA [VANDF]
Urea 41%
WLN: ZVZ
Carbamimidic acid (VAN)
Spectrum2_001192
Spectrum3_001791
Spectrum4_001168
Spectrum5_001862
Urea, analytical standard
Urea, for electrophoresis
UREA [HPUS]
UREA [HSDB]
Urea (8CI,9CI)
UREA [FCC]
UREA [WHO-DD]
Eucerin 10% Urea Lotion
CHEMBL985
UREA [MI]
UREA [ORANGE BOOK]
H2N-CO-NH2
Urea 39.5%
Urea A.C.S. reagent grade
Pesticide Code: 085702
BSPBio_003341
KBioGR_001775
KBioSS_001152
Urea, puriss., 99.5%
MLS001076688
DivK1c_000086
SPECTRUM1500604
Urea, AR, >=99%
Urea, LR, >=99%
SPBio_001263
GTPL4539
URE-39
UREA 40%
UREA COMPONENT OF U-CORT
Urea, >=99.0%
Urea, Molecular Biology Reagent
BDBM24961
CHEBI:48379
HMS500E08
KBio1_000086
KBio2_001152
KBio2_003720
KBio2_006288
KBio3_002843
Urea 100 microg/mL in Methanol
NINDS_000086
HMS1921I17
HMS2092C08
HMS2232P21
Pharmakon1600-01500604
UREA COMPONENT OF ALPHADERM
component of Artra Ashy Skin Cream
UREA COMPONENT OF CARMOL HC
AMY37159
BCP30439
CS-B1800
HY-Y0271
STR00449
Urea, tested according to Ph.Eur.
Tox21_111036
Tox21_202158
Tox21_300035
c0165
CCG-40265
NSC757375
s3687
STL194286
UREA COMPONENT OF CALMURID HC
Urea, ReagentPlus(R), >=99.5%
AKOS009031424
Urea, NIST(R) SRM(R) 2141
Urea, SAJ first grade, >=98.0%
DB03904
NSC-757375
Urea, JIS special grade, >=99.0%
Urea, meets USP testing specifications
Urea, Vetec(TM) reagent grade, 99%
IDI1_000086
Basodexan pound>>Carmol pound>>Carbamide
NCGC00090892-02
NCGC00090892-03
NCGC00090892-04
NCGC00090892-05
NCGC00090892-06
NCGC00254181-01
NCGC00259707-01
SMR000499585
Urea, ACS reagent, 99.0-100.5%
SBI-0051552.P002
1ST005142
Urea, BioReagent, suitable for cell culture
NS00001564
U0073
U0077
Urea, ReagentPlus(R), >=99.5%, pellets
EN300-19456
C00086
component of Artra Ashy Skin Cream (Salt/Mix)
D00023
D70446
M02656
Q48318
Urea, p.a., ACS reagent, 99.0-100.5%
AB00052123_05
SR-01000762961
Urea, NIST(R) SRM(R) 912a, clinical standard
InChI=1/CH4N2O/c2-1(3)4/h(H4,2,3,4
SR-01000762961-2
Urea, British Pharmacopoeia (BP) Reference Standard
BRD-K88052444-001-08-8
Urea, European Pharmacopoeia (EP) Reference Standard
F0001-1490
Urea, BioUltra, for molecular biology, >=99.5% (T)
Urea, BioXtra, pH 7.5-9.5 (20 C, 5 M in H2O)
Urea, NIST SRM 2152, combustion calorimetric standard
Urea, United States Pharmacopeia (USP) Reference Standard
6E4EB293-4363-4D38-BF3B-1397372C31E5
Urea, 8 M (after reconstitution with 16 mL high purity water)
Urea, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5%
Urea, Pharmaceutical Secondary Standard; Certified Reference Material
Urea, powder, BioReagent, for molecular biology, suitable for cell culture
Microorganism:

Yes

IUPAC nameurea
SMILESC(=O)(N)N
InchiInChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
FormulaCH4N2O
PubChem ID1176
Molweight60.056
LogP-1.4
Atoms4
Bonds0
H-bond Acceptor1
H-bond Donor2
Chemical Classificationnitrogen compounds carbamides
CHEBI-ID16199
Supernatural-IDSN0439013

mVOC Specific Details

Volatilization
The Henry's Law constant for urea is estimated as 1.74X10-12 atm-cu m/mole(SRC) based upon its vapor pressure, 1.20X10-5 mm Hg(1), and water solubility, 5.45X10+5 mg/l(2). This Henry's Law constant indicates that urea is expected to be essentially nonvolatile from moist soil and water surfaces(3). Urea is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1). However, urea is rapidly hydrolyzed by soil urease to form ammonium ions which may volatilize as ammonia(4).
Soil Adsorption
The adsorption of urea was measured in six different British soils with organic carbon contents ranging from 1.76 to 36.5%(1). No adsorption was measurable in five of the soils(1). In a sixth soil (36.5% organic carbon), a Koc of 8 can be determined from the Freundlich isotherm(SRC). According to a classification scheme(2), this Koc value suggests that urea is expected to have high mobility in soil. However, it has been reported that urea can adsorb to humic acids by free-radical complexation(3). Complexed urea may adsorb to soil more strongly than uncomplexed urea(SRC).
Vapor Pressure
PressureReference
1.2e-5
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


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


Hydroxyurea

Compound Details

Synonymous names
hydroxyurea
127-07-1
Hydroxycarbamide
N-Hydroxyurea
Hydrea
1-HYDROXYUREA
Oxyurea
Carbamoyl oxime
Biosupressin
Urea, hydroxy-
Carbamohydroxamic acid
Carbamohydroximic acid
Droxia
Litalir
Hydroxycarbamine
Onco-carbide
Carbamyl hydroxamate
Hydurea
N-Carbamoylhydroxylamine
Hidrix
Hydura
Siklos
Hydroxicarbamidum
Hydroxylurea
Hydreia
Litaler
urea, N-hydroxy-
Idrossicarbamide [DCIT]
Hidroxicarbamida
hydroxy urea
Hydroxyharnstoff
SQ 1089
Hydroxycarbamidum
Carbamohydroxyamic acid
N-Hydroxymocovina
Hydroxylamine, N-carbamoyl-
Hydroxyharnstoff [German]
N-Hydroxymocovina [Czech]
NCI-C04831
Hydroxylamine, N-(aminocarbonyl)-
SK 22591
Hydroxycarbamidum [INN-Latin]
Hidroxicarbamida [INN-Spanish]
HU
CCRIS 958
HYDROXY-UREA
NSC 32065
NSC32065
MFCD00007943
NSC-32065
N-(Aminocarbonyl)hydroxylamine
SQ-1089
8029-68-3
AI3-51139
Ammonium ichthosulfonate
Hydroxyurea (Cytodrox)
Hydroxycarbamide [INN]
CHEMBL467
X6Q56QN5QC
DTXSID6025438
CHEBI:44423
NCGC00015520-03
Hydroxycarbamid
Oncocarbide
Idrossicarbamide
NHY
Hydroxyurea (D4)
DTXCID405438
N-HYDROXY UREA
Mylocel
carbamide oxide
Xromi
CAS-127-07-1
SMR000059149
Hydroxyurea (USP)
Droxia (TM)
Droxia (TN)
Hydrea (TM)
hydroxyaminomethanamide
HSDB 6887
SR-01000075919
DRG-0253
EINECS 204-821-7
HYDREA (TN)
Hydroxyurea [USAN:USP]
UNII-X6Q56QN5QC
BRN 1741548
Hydroxycarbamide (JAN/INN)
hydroxyl urea
n-hydroxy-urea
S-phase/G-1 interface inhibitor
aminohydroxamic acid
carbamic acid oxime
Spectrum_000909
WLN: ZVMQ
Hydrea (Bristol Meyers)
HYDROXYUREA [MI]
Spectrum2_000064
Spectrum3_000462
Spectrum4_000012
Spectrum5_000836
Lopac-H-8627
HYDROXYUREA [HSDB]
HYDROXYUREA [IARC]
HYDROXYUREA [USAN]
MolMap_000029
H 8627
HYDROXYUREA [VANDF]
NCIMech_000139
Hydroxyurea, 98%, powder
Lopac0_000596
BSPBio_002164
HYDROXYUREA [USP-RS]
KBioGR_000383
KBioSS_001389
4-03-00-00170 (Beilstein Handbook Reference)
MLS001332381
MLS001332382
MLS002153389
DivK1c_000556
HYDROXYCARBAMIDE [JAN]
SPECTRUM1500344
SPBio_000247
GTPL6822
HYDROXYCARBAMIDE [MART.]
tetratogen: inhibits ribonucleoside diphosphate reductase
HMS501L18
KBio1_000556
KBio2_001389
KBio2_003957
KBio2_006525
KBio3_001384
HYDROXYCARBAMIDE [WHO-DD]
HYDROXYUREA [ORANGE BOOK]
NINDS_000556
Bio1_000451
Bio1_000940
Bio1_001429
HMS1920F09
HMS2091L17
HMS2234I03
HMS3261H14
HMS3373G18
HMS3655K20
HMS3869C03
NCI C04831
Pharmakon1600-01500344
HYDROXYCARBAMIDE [EMA EPAR]
HYDROXYUREA [USP MONOGRAPH]
AMY40858
HY-B0313
STR02555
Tox21_110168
Tox21_300319
Tox21_500596
BBL009928
BDBM50017811
CCG-35236
NSC757072
s1896
STL145898
AKOS005716276
AKOS006222547
Tox21_110168_1
DB01005
HYDROXYCARBAMIDE [EP MONOGRAPH]
LP00596
MCULE-9465284053
NSC-757072
SDCCGSBI-0050578.P006
IDI1_000556
NCGC00015520-01
NCGC00015520-02
NCGC00015520-04
NCGC00015520-05
NCGC00015520-06
NCGC00015520-07
NCGC00015520-08
NCGC00015520-09
NCGC00015520-10
NCGC00015520-11
NCGC00015520-20
NCGC00093974-01
NCGC00093974-02
NCGC00093974-03
NCGC00093974-04
NCGC00093974-05
NCGC00254007-01
NCGC00261281-01
AC-22674
NCI60_002773
SBI-0050578.P004
DB-041849
EU-0100596
H0310
NS00002419
SW218071-2
EN300-82775
C07044
D00341
Hydroxyurea, Vetec(TM) reagent grade, >=98%
AB00052018-09
AB00052018-10
AB00052018_11
AB00052018_12
A805636
Q212272
J-504798
SR-01000075919-1
SR-01000075919-3
SR-01000075919-8
E0723DBA-5AF3-49D1-B5F6-59420AB87AC9
F8880-0905
Z1203577934
Hydroxycarbamide, European Pharmacopoeia (EP) Reference Standard
Hydroxyurea, United States Pharmacopeia (USP) Reference Standard
Microorganism:

Yes

IUPAC namehydroxyurea
SMILESC(=O)(N)NO
InchiInChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
FormulaCH4N2O2
PubChem ID3657
Molweight76.055
LogP-1.8
Atoms5
Bonds0
H-bond Acceptor2
H-bond Donor3
Chemical Classificationcarbamides nitrogen compounds
CHEBI-ID44423
Supernatural-IDSN0398904

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Velezensismaize seedMassawe et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus VelezensisMinimal salt mediumSPME, GC-MSno


N,N-dimethylformamide

Mass-Spectra

Compound Details

Synonymous names
N,N-DIMETHYLFORMAMIDE
Dimethylformamide
68-12-2
Dimethyl formamide
N,N-Dimethylmethanamide
N-Formyldimethylamine
Formamide, N,N-dimethyl-
Dimethylformamid
DMF
DMFA
Dimetilformamide
Dwumetyloformamid
Formyldimethylamine
N,N-Dimethyl formamide
Dimetylformamidu
DMF (amide)
Dimethylforamide
NCI-C60913
N,N Dimethylformamide
Dimethylamid kyseliny mravenci
Caswell No. 366A
dimethyl-Formamide
n,n,dimethylformamide
N,N-Dimetilformamida
HSDB 78
CCRIS 1638
DTXSID6020515
U-4224
NSC 5356
NSC-5356
Formic acid, amide, N,N-dimethyl-
EINECS 200-679-5
EPA Pesticide Chemical Code 366200
UNII-8696NH0Y2X
CHEBI:17741
AI3-03311
n,n-dimethyl-Formamide
NSC5356
N,N- Dimethylformamide
8696NH0Y2X
N,N-Dimethylformaldehyde
MFCD00003284
DTXCID20515
EC 200-679-5
N,N-Dimethylformamid
DIMETHYLFORMAMIDE (MART.)
DIMETHYLFORMAMIDE [MART.]
Dimetylformamidu [Czech]
Dimethylformamid [German]
N,N-DIMETHYLFORMAMIDE (IARC)
N,N-DIMETHYLFORMAMIDE [IARC]
Dimetilformamide [Italian]
Dwumetyloformamid [Polish]
CAS-68-12-2
MFCD00003286
N,N-Dimetilformamida [Spanish]
DMF; Dimethylformamide; N,N-Dimethylformamide
N,N-Dimethylformamide, for HPLC, >=99.9%
N, N-dimethylformamide
N,N-Dimethylformamide, ACS reagent, >=99.8%
N, N-dimethyl formamide
UN2265
Dimethylamid kyseliny mravenci [Czech]
dimethlforamide
dimethlformamide
dimethyformamide
dimetylformamide
dimehtylformamide
dimethlyformamide
dimethyiformamide
dimethy formamide
dimethy1formamide
dimethyl foramide
dimethyl formamid
dimehtylformarnide
dimethylformarnide
dimethylforrnamide
dirnethylformamide
di-methylformamide
dimethylf ormamide
dimethylform amide
dimethylform-amide
dimethylformamid e
dimethylformamide-
dirnethylformarnide
n-dimethylformamide
dimethyl form-amide
dimethyl- formamide
dimethylfor- mamide
DMF,SP Grade
N,n-dimethylforamide
formamide, dimethyl-
N,N-dimethlformamide
N,N-dimethyformamide
N,N-dimetylformamide
n,n.dimethylformamide
N,N'dimethylformamide
N,N-dimethvlformamide
N.N-dimethylformamide
HCONMe2
Formamide,N-dimethyl-
N, N-dimethylforamide
N,N'-dimethylforamide
N,N-dimethl formamide
N,N-dimethy formamide
N,N-dimethyl foramide
N,N-dimethyl formamid
N,N-dimethylformarnide
N,N-dimethylforrnamide
N,N-dimetyl formamide
N,N-dirnethylformamide
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-dimethylfor mamide
N,N-dimethylfor-mamide
N,N-dimethylform-amide
N,N-dimethylformamide-
N,N-di-methylforrnamide
Dimethyl Fornamide,(S)
DMF (dimethylformamide)
n,n,-dimethyl formamide
N, N'-dimethylformamide
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-dimethyl- formamide
|N,N|-Dimethylformamide
N, N-dimethylformaldehyde
bmse000709
D.M.F
HCON(CH3)2
Dynasolve 100 (Salt/Mix)
BIDD:ER0600
WLN: VHN1&1
CHEMBL268291
D.M.F.
N,N-Dimethylformamide, 99.8%
N,N-Dimethylformamide, anhydrous
N,N-Dimethylformamide HPLC grade
N,N-Dimethylformamide, ACS grade
N,N-DIMETHYLFORMAMIDE [MI]
N,N-Dimethylformamide, HPLC Grade
Tox21_201259
Tox21_300039
N,N-DIMETHYLFORMAMIDE [HSDB]
N,N-Dimethylformamide, biotech grade
s6192
STL264197
N,N-Dimethylformamide, LR, >=99%
AKOS000121096
FORMIN ACID,AMIDE,N,N-DIMETHYL
DB01844
MCULE-6290117712
N,N-DIMETHYLFORMAMIDE [USP-RS]
N,N-DIMETHYLFORMAMIDE [WHO-DD]
UN 2265
N,N-Dimethylformamide, p.a., 99.8%
USEPA/OPP Pesticide Code: 366200
N,N-Dimethylformamide, AR, >=99.5%
NCGC00090785-01
NCGC00090785-02
NCGC00090785-03
NCGC00090785-04
NCGC00090785-05
NCGC00254093-01
NCGC00258811-01
SY010600
N,N-Dimethylformamide, analytical standard
N,N-Dimethylformamide, anhydrous, 99.8%
D0722
D0939
N,N-Dimethylformamide, anhydrous, amine free
NS00005138
N,N-Dimethylformamide, for HPLC, >=99.5%
C03134
N,N-Dimethylformamide, Spectrophotometric Grade
N,N-Dimethylformamide, AldraSORB(TM), 99.8%
N,N-Dimethylformamide, ReagentPlus(R), >=99%
A836012
N,N-Dimethylformamide, biotech. grade, >=99.9%
Q409298
InChI=1/C3H7NO/c1-4(2)3-5/h3H,1-2H
N,N-Dimethylformamide, p.a., ACS reagent, 99.8%
N,N-Dimethylformamide, SAJ first grade, >=99.0%
N,N-Dimethylformamide [UN2265] [Flammable liquid]
N,N-Dimethylformamide, anhydrous, ZerO2(TM), 99.8%
N,N-Dimethylformamide, for molecular biology, >=99%
N,N-Dimethylformamide, JIS special grade, >=99.5%
N,N-Dimethylformamide, UV HPLC spectroscopic, 99.7%
Z220615596
N,N-Dimethylformamide, ACS spectrophotometric grade, >=99.8%
N,N-Dimethylformamide HPLC, UV-IR min. 99.9%, isocratic grade
N,N-Dimethylformamide, Vetec(TM) reagent grade, anhydrous, >=99.8%
Dimethylformamide, Pharmaceutical Secondary Standard; Certified Reference Material
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)
N,N-Dimethylformamide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~99%
Microorganism:

Yes

IUPAC nameN,N-dimethylformamide
SMILESCN(C)C=O
InchiInChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
FormulaC3H7NO
PubChem ID6228
Molweight73.09
LogP-1
Atoms5
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides nitrogen compounds
CHEBI-ID17741
Supernatural-IDSN0474736

mVOC Specific Details

Boiling Point
DegreeReference
152.8 °C peer reviewed
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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Fluorescenspromotes growth of non-infected Atractylodes lanceafrom geo-authentic Atractylodes lanceaZhou et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas FluorescensMS rooting agarGC/MS + comparison to NISTno


Propanamide

Mass-Spectra

Compound Details

Synonymous names
PROPIONAMIDE
Propanamide
79-05-0
Propylamide
Propionic amide
Propanimidic acid
Propionic acid amide
Propionimidic acid
Amid kyseliny propionove
n-propionic amide
EINECS 201-172-1
UNII-QK07G0HP47
MFCD00008039
NSC 38708
BRN 0969258
QK07G0HP47
CHEBI:45422
AI3-21217
NSC-38708
4-02-00-00725 (Beilstein Handbook Reference)
Propanimidic acid (VAN)
Propionimidic acid (VAN)
Amid kyseliny propionove [Czech]
Propionamide, 97%
PROPIONAMIDE [MI]
WLN: ZV2
CHEMBL1235716
DTXSID3058820
NSC38708
STR08476
STL363023
AKOS005177582
CS-W016688
DB04161
MCULE-3730796130
SY048276
DB-031910
NS00038021
P0499
EN300-15614
Propionamide, Vetec(TM) reagent grade, 97%
O12053
J-524060
Q3082378
Z33546482
F0001-2069
InChI=1/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5
Microorganism:

Yes

IUPAC namepropanamide
SMILESCCC(=O)N
InchiInChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
FormulaC3H7NO
PubChem ID6578
Molweight73.09
LogP-0.7
Atoms5
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds
CHEBI-ID45422

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Fluorescensnafrom geo-authentic Atractylodes lanceaZhou et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas FluorescensMS rooting agarGC/MS + comparison to NISTno


2-phenylacetamide

Mass-Spectra

Compound Details

Synonymous names
2-PHENYLACETAMIDE
103-81-1
Benzeneacetamide
Phenylacetamide
alpha-Toluamide
Phenylacetic acid amide
alpha-Phenylacetamide
Acetamide, 2-phenyl-
Phenyl-beta-acetylamine
2-phenyl-Acetamide
alpha-Toluimidic acid
.alpha.-Toluamide
.alpha.-Phenylacetamide
Phenyl-.beta.-acetylamine
CHEBI:16562
GNF-PF-1199
.alpha.-Toluimidic acid
5R219M9TJF
CHEMBL347645
NSC-1877
MFCD00059193
phenacetamide
NSC 1877
EINECS 203-147-0
UNII-5R219M9TJF
phenyl acetamide
AI3-19421
benzene-acetamide
phenylacetimidic acid
Acetamide, 2-phenyl
(+)-benzeneacetamide
(-)-benzeneacetamide
beta-Phenyl-acetylamine
BENZENEDIACETAMIDE
(+/-)-benzeneacetamide
(alpha-)2-Phenylacetamide
2-Phenylacetamide(alpha-)
SCHEMBL25676
Phenylacetamide;alpha-Toluamide
DTXSID1059282
NSC1877
BCP10408
BDBM50226209
s4440
.ALPHA.-PHENYLACETAMIDE [MI]
AKOS001215073
CS-W018983
HY-W018197
MCULE-8226590608
AC-24581
PD155928
SY017094
DB-021492
A1882
NS00023262
P0120
EN300-15619
C02505
Q-200316
Q27101974
Z33546508
F1084-0941
46AFC744-1FF7-4816-B1C1-7C9995F369E8
N-O-NITROPHENYLSULFENYL-L-PROLINEDI(CYCLOHEXYL)AMMONIUMSALT
InChI=1/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10
Microorganism:

Yes

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
Molweight135.16
LogP0.5
Atoms10
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds amides nitrogen compounds benzenoids
CHEBI-ID16562
Supernatural-IDSN0213869

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus AmyloliquefaciensAgriculture University of Nanjing, ChinaTahir et al. 2017
ProkaryotaBacillus AtrophaeusAgriculture University of Nanjing, ChinaTahir et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus AmyloliquefaciensLBSPME-GC-MSno
ProkaryotaBacillus AtrophaeusLBSPME-GC-MSno


Azepan-2-one

Mass-Spectra

Compound Details

Synonymous names
azepan-2-one
CAPROLACTAM
epsilon-Caprolactam
105-60-2
6-Caprolactam
2-Oxohexamethylenimine
Aminocaproic lactam
2H-Azepin-2-one, hexahydro-
6-Hexanelactam
2-Azacycloheptanone
Hexahydro-2H-azepin-2-one
2-Oxohexamethyleneimine
Hexanolactam
2-Perhydroazepinone
Hexahydro-2-azepinone
1,6-Hexolactam
Hexanone isoxime
Caprolattame
2-Ketohexamethylenimine
Cyclohexanone iso-oxime
E-Caprolactam
1-Aza-2-cycloheptanone
Epsylon kaprolaktam
Hexanonisoxim
Kaprolaktam
6-Aminocaproic acid lactam
Extrom 6N
hexannic acid
e-Kaprolaktam
Hexamethylenimine, 2-oxo-
Caprolactam monomer
1,6-Hexalactam
2-Ketohexamethyleneimine
Kapromine
Stilon
E-caprolactum
6-Aminohexanoic acid cyclic lactam
Perhydroazepin-2-one
2H-Azepin-7-one, hexahydro-
gamma-caprolactam
omega-caprolactum
Capron PK4
.epsilon.-Caprolactam
Hexanoic acid, 6-amino-, lactam
NCI-C50646
.omega.-Caprolactam
2H-azepin-7-one,hexahydro
Hexanoic acid, 6-amino-, cyclic lactam
Aza-2-cycloheptanone
CCRIS 119
HSDB 187
EINECS 203-313-2
Lactam, aminocaproic
NSC 117393
hexanoic acid-6-amino-,lactam
BRN 0106934
DTXSID4020240
CHEBI:28579
AI3-14515
UNII-6879X594Z8
A1030
MFCD00006936
cis-Hexahydro-2-azepinone
NSC-117393
hexahydro 2H Azepin 2 one
hexanoic acid-6-amino-lactam
DTXCID00240
6879X594Z8
FEMA NO. 4235
2-Azepinone, hexahydro-, (Z)-
EC 203-313-2
5-21-06-00444 (Beilstein Handbook Reference)
Cyclohexanoneisooxime
Hexanoic acid, lactam
WLN: T7MVTJ
CAPROLACTAM (IARC)
CAPROLACTAM [IARC]
Hexanoic acid, cyclic lactam
CAPROLACTAM (USP-RS)
CAPROLACTAM [USP-RS]
HEXANOIC ACID,6-AMINO,LACTAM E-CAPROLACTAM
Caprolattame [French]
e-Kaprolaktam [Czech]
Hexanonisoxim [German]
Epsylon kaprolaktam [Polish]
CAS-105-60-2
epsilon-?Caprolactam
hexahydroazepin-2-one
ZINC ACEXAMATE IMPURITY D (EP IMPURITY)
ZINC ACEXAMATE IMPURITY D [EP IMPURITY]
Caprolactam dust and vapor
caprolactim
Alkamid
Chemlon
Danamid
Kaprolit
Kaprolon
Metamid
Orgamide
Steelon
Akulon
Capron
Grilon
Itamid
Kapron
Stylon
Vidlon
Widlon
Orgamid rmnocd
Durethan bk
Ultramid bmk
6-hexanolactam
Tarlon xb
Caprolon B
Caprolon V
Kaprolit B
Kaprolon B
Renyl mv
Tarnamid T
hexano-6-lactam
Itamide S
Capron B
Ertalon 6sa
Kapron A
Kapron B
Caprolactam,(S)
Relon P
epsilon caprolactam
Durethan bk 30S
Tarlon X-A
Tarnamid T 2
Ultramid B 3
Ultramid B 4
Ultramid B 5
2-Azepanone #
Durethan bkv 30H
Durethan bkv 55H
Itamide 25
Itamide 35
Miramid H 2
Miramid wm 55
Torayca N 6
epsilon -caprolactam
Tarnamid T 27
azacycloheptan-2-one
Capran 77C
Capran 80
Plaskon 8201hs
Plaskon xp 607
Itamide 250
Itamide 250G
Itamide 350
Plaskon 201
Spencer 401
Spencer 601
azacycloheptane-2-one
Sipas 60
Itamid 250
Maranyl F 114
Maranyl F 124
Maranyl F 500
Nylon A1035sf
Plaskon 8202C
Capron gr 8256
Capron gr 8258
Plaskin 8200
Plaskon 8201
Plaskon 8205
Plaskon 8207
Plaskon 8252
6-CAPROLACTAN
Capron 8250
Capron 8252
Capron 8253
Capron 8256
Capron 8257
Nylon cm 1031
Zytel 211
?2-Oxohexamethylenimine
Amilan CM 1001C
Amilan CM 1001G
Amilan CM 1001
Amilan CM 1011
CAPROLACTAM [MI]
Dull 704
Nylon X 1051
CAPROLACTAM [HSDB]
ATM 2(NYLON)
bmse000372
epsilon-Caprolactam, 99%
6-Aminohexanoic acid lactam
Hexahydro-2H-azepine-2-one
SCHEMBL19610
9012-16-2
CHEMBL276218
PK 4
HEXAMETHYLENIMINE,2-OXO-
NIOSH/CM3900000
1,6-HEXALACTAM [FHFI]
UBE 1022B
NSC4977
2H-AZEPIN-2-ONE,HEXAHYDRO
NSC-4977
NSC25536
STR02412
Tox21_202202
Tox21_300163
c0432
MFCD19226350
NSC-25536
NSC117393
STK378587
AKOS000119969
CM 1001
CM 1011
CM 1031
CM 1041
MCULE-4544579564
epsilon-Caprolactam, analytical standard
NCGC00247913-01
NCGC00247913-02
NCGC00253933-01
NCGC00259751-01
AM802872
DB-003880
DB-032192
CM39000000
NS00008125
EN300-19667
A23500
C06593
D70254
Q409397
J-510225
F0001-0110
InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8
Microorganism:

Yes

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
LogP-0.1
Atoms8
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides lactames nitrogen compounds
CHEBI-ID28579
Supernatural-IDSN0160970

mVOC Specific Details

Boiling Point
DegreeReference
270 °C peer reviewed
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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStenotrophomonas MaltophiliaclinicPreti et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no


5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Compound Details

Synonymous names
Phenallymal
Alphenal
Alpheba
Phenallymalum
Allofenyl
Alphenate
Fenallymal
Prophenal
Allophenylum
115-43-5
Alphasem
Tubergal
5-Allyl-5-phenylbarbituric acid
5-Phenyl-5-allylbarbituric acid
BARBITURIC ACID, 5-ALLYL-5-PHENYL-
Acido 5-fenil-5-allilbarbiturico
5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
7T7L08Q9JI
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-5-(2-propenyl)-
5-Phenyl-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Dorlotin
Luxomnin
Alphenal (1mg/ml in Acetonitrile)
5-Allyl-5-phenylbarbitursaeure
EINECS 204-089-9
BRN 0227510
UNII-7T7L08Q9JI
Acido 5-fenil-5-allilbarbiturico [Italian]
PHENALLYMAL [MI]
5-24-09-00334 (Beilstein Handbook Reference)
SCHEMBL715099
5-allyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione
DTXSID60150919
CHEBI:134993
STK299181
AKOS003382444
5-ALLYL-5-PHENYL-BARBITURIC ACID
NS00023739
Q414954
SR-01000883751
SR-01000883751-1
5-Allyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
5-phenyl-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Microorganism:

No

IUPAC name5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
InchiInChI=1S/C13H12N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2-7H,1,8H2,(H2,14,15,16,17,18)
FormulaC13H12N2O3
PubChem ID8274
Molweight244.25
LogP1.7
Atoms18
Bonds3
H-bond Acceptor3
H-bond Donor2
Chemical Classificationnitrogen compounds heterocyclic compounds carbamides benzenoids azines aromatic compounds
CHEBI-ID134993
Supernatural-IDSN0415631

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


1,1-dimethylurea

Compound Details

Synonymous names
1,1-DIMETHYLUREA
598-94-7
N,N-Dimethylurea
Urea, N,N-dimethyl-
asym-Dimethylurea
Urea, 1,1-dimethyl-
1320-50-9
1,1-DIMETHYL-D6-UREA
1.1-Dimethylurea
MFCD00007959
NSC-33603
I988R763P3
1,1-Dimethyl urea
N,N-Dimethylharnstoff
N,N-Dimethylharnstoff [German]
HSDB 4273
EINECS 209-957-0
NSC 33603
BRN 1740666
AI3-61297
UNII-I988R763P3
N,N-dimethyl urea
EINECS 215-303-5
1,1-dimethyl-urea
DIMETHYLUREA, N,N-
1,1-Dimethylurea, 99%
(CH3)2NCONH2
DTXSID0060515
1,1-DIMETHYLUREA [HSDB]
NSC33603
STR03134
STL482999
AKOS000200400
SY048169
DB-053491
CS-0132397
D0809
NS00021239
EN300-17007
D-5580
D89723
A832531
Q24712449
InChI=1/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6
Microorganism:

Yes

IUPAC name1,1-dimethylurea
SMILESCN(C)C(=O)N
InchiInChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)
FormulaC3H8N2O
PubChem ID11737
Molweight88.11
LogP-0.8
Atoms6
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationcarbamides 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


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


2-fluoroacetamide

Compound Details

Synonymous names
FLUOROACETAMIDE
2-Fluoroacetamide
640-19-7
Monofluoroacetamide
Acetamide, 2-fluoro-
Fluorkill
Fluoroacetic acid amide
Megatox
Fussol
Yanock
Fluoroakil 100
Fluorakil 100
Navron
Compound 1081
Fluoracetamide
AFL 1081
RCRA waste number P057
Amid kyseliny fluoroctove
2-Fluoro-Acetamide
CHEBI:53124
DTXSID2034255
NSC-31876
B18R611M38
Baran
Flutritex 1
Caswell No. 461
Fluoroacetamide [BSI:ISO]
HSDB 2880
Amid kyseliny fluoroctove [Czech]
EINECS 211-363-1
NSC 31876
RCRA waste no. P057
EPA Pesticide Chemical Code 075002
BRN 1739054
AI3-25667
UNII-B18R611M38
FTM
2-fluoranylethanamide
WLN: ZV1F
FLUOROACETAMIDE [MI]
FLUOROACETAMIDE [ISO]
FLUOROACETAMIDE [HSDB]
CHEMBL160811
DTXCID0014255
NSC31876
Tox21_301297
BDBM50226191
AKOS009031511
NCGC00166013-01
NCGC00257537-01
CAS-640-19-7
Fluoroacetamide 100 microg/mL in Ethanol
DB-029786
DB-050525
F0029
NS00006286
EN300-19853
C18675
A834612
Q419124
Z104475768
Microorganism:

Yes

IUPAC name2-fluoroacetamide
SMILESC(C(=O)N)F
InchiInChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)
FormulaC2H4FNO
PubChem ID12542
Molweight77.06
LogP-1
Atoms5
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationnitrogen compounds halogenated compounds amides
CHEBI-ID53124
Supernatural-IDSN0096830

mVOC Specific Details

Volatilization
The Henry's Law constant for fluoroacetamide is estimated as 2.23X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that fluoroacetamide is expected to be essentially nonvolatile from water surfaces(2). The potential for volatilization of fluoroacetamide from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 0.99 mm Hg(SRC), determined from a fragment constant method(3).
Soil Adsorption
The Koc of fluoroacetamide is 6.4(1). According to a classification scheme(2), this Koc value suggests that fluoroacetamide is expected to have very high mobility in soil(SRC).
Vapor Pressure
PressureReference
0.99

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fusarium GraminearumBallot et al. 2023
MicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fusarium Graminearumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-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,N-dibutylformamide

Compound Details

Synonymous names
N,N-DIBUTYLFORMAMIDE
761-65-9
Dibutylformamide
Formamide, N,N-dibutyl-
N,N-Di-n-butylformamide
Formamide, N,N-di-n-butyl-
Dibutylamid kyseliny mravenci
MFCD00003289
NSC-404525
4315805S5N
EINECS 212-090-0
Dibutylamid kyseliny mravenci [Czech]
NSC 404525
BRN 0636100
AI3-18810
UNII-4315805S5N
formamide, dibutyl-
Formamide,N-dibutyl-
n,n-dibutyl-formamide
Formamide,N-di-n-butyl-
ETHYLMERCURICCHLORIDE
EC 212-090-0
SCHEMBL26772
N,N-Dibutylformamide, 99%
4-04-00-00565 (Beilstein Handbook Reference)
N pound notN-Dibutylformamide
WLN: VHN4&4
DTXSID3022114
AMY3064
BCP29821
DI(N-BUTYL)FORAMIDE, N,N-
NSC404525
AKOS009157162
Dibutylformamide;Formamide, N,N-dibutyl-
LS-13714
SY013148
DB-075075
CS-0187560
D2147
NS00009641
E78231
A849002
W-104375
Q27258593
F0001-1929
InChI=1/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H
Microorganism:

Yes

IUPAC nameN,N-dibutylformamide
SMILESCCCCN(CCCC)C=O
InchiInChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
FormulaC9H19NO
PubChem ID12975
Molweight157.25
LogP2.2
Atoms11
Bonds6
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides nitrogen compounds

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


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


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


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