Results for:
PubChem ID: 7768

Azepan-2-one

Mass-Spectra

Compound Details

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

mVOC Specific Details

Volatilization
The Henry's Law constant for caprolactam is estimated as 5.4X10-11 atm-cu m/mole(SRC), calculated from its vapor pressure, 1.9X10-3 mm Hg at 25 deg C(1), and water solubility, 5.25X10+6 mg/l(2). This Henry's Law constant indicates that caprolactam is expected to be essentially nonvolatile from water surfaces(3). Caprolactam's estimated Henry's Law constant indicates that volatilization from moist soil surfaces will not occur(SRC). Caprolactam is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Jones AM; J Chem Eng Data 5: 196-200 (1960) (2) Loewengart G; pp. 36-52 in Proc Symp Ind Approach Chem Risk Assess: Caprolactam Relat Compd Case Study, Arlington, VA: Marriott-Crystal Gateway (1984) (2) Duke SO; Rev. Weed Sci 2:15-44 (1986) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for caprolactam is estimated to be 57(SRC). According to a classification scheme(2), this estimated Koc value suggests that caprolactam is expected to have high mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.9X10-3 mm Hg at 25 deg CJones AH; J Chem Eng Data 5: 196-200 (1960)
MS-Links
1D-NMR-Links

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