Compound: azepan-2-one
SMILES: O=C1NCCCCC1
InChIKey: JBKVHLHDHHXQEQ-UHFFFAOYSA-N
Synonyms: azepan-2-one, CAPROLACTAM, 105-60-2, epsilon-Caprolactam, 2-Oxohexamethylenimine, 6-Caprolactam, Aminocaproic lactam, Hexahydro-2H-azepin-2-one, 6-Hexanelactam, 2-Oxohexamethyleneimine, 2-Azacycloheptanone, Hexanolactam, 2H-Azepin-2-one, hexahydro-, Hexahydro-2-azepinone, 2-Perhydroazepinone, 1,6-Hexolactam, Hexanone isoxime, Hexanonisoxim, Caprolattame, 2-Ketohexamethylenimine, Cyclohexanone iso-oxime, 2-Ketohexamethyleneimine, 1-Aza-2-cycloheptanone, Caprolactam monomer, Epsylon kaprolaktam, 6-Aminocaproic acid lactam, Extrom 6N, Kapromine, hexannic acid, Stilon, e-Kaprolaktam, Hexamethylenimine, 2-oxo-, 1,6-Hexalactam, Capron PK4, 6-Aminohexanoic acid cyclic lactam, 2H-Azepin-7-one, hexahydro-, gamma-caprolactam, Hexanoic acid, 6-amino-, lactam, NCI-C50646, Hexanoic acid, 6-amino-, cyclic lactam, A1030, Lactam, aminocaproic, DTXSID4020240, NSC-117393, hexahydro 2H Azepin 2 one, DTXCID00240, 6879X594Z8, FEMA NO. 4235, CHEBI:28579, omega-Caprolactam, RefChem:5643, 203-313-2, 919-537-5, E-Caprolactam, Kaprolaktam, Perhydroazepin-2-one, .epsilon.-Caprolactam, E-caprolactum, omega-caprolactum, .omega.-Caprolactam, Aza-2-cycloheptanone, 2H-azepin-7-one,hexahydro, epsilon caprolactam, cis-Hexahydro-2-azepinone, hexanoic acid-6-amino-,lactam, 2-Azepinone, hexahydro-, (Z)-, Cyclohexanoneisooxime, MFCD19226350, azaperhydroepin-2-one, 9012-16-2, Hexanoic acid, lactam, WLN: T7MVTJ, Hexanoic acid, cyclic lactam, HEXANOIC ACID,6-AMINO,LACTAM   E-CAPROLACTAM, Caprolattame [French], e-Kaprolaktam [Czech], Hexanonisoxim [German], 6-hexanolactam, Epsylon kaprolaktam [Polish], CAS-105-60-2, CCRIS 119, azacycloheptan-2-one, HSDB 187, hexahydroazepin-2-one, EINECS 203-313-2, MFCD00006936, Caprolactam dust and vapor, NSC 117393, 6-Aminohexanoic acid lactam, BRN 0106934, caprolactim, Metamid, Steelon, Capron, Stylon, AI3-14515, hexano-6-lactam, UNII-6879X594Z8, Tarlon X-A, 2-Azepanone #, epsilon -caprolactam, Tarnamid T 27, azacycloheptane-2-one, Capron 8257, CAPROLACTAM [MI], CAPROLACTAM [HSDB], CAPROLACTAM [IARC], ATM 2(NYLON), bmse000372, epsilon-Caprolactam, 99%, EC 203-313-2, SCHEMBL19610, SCHEMBL51383, CAPROLACTAM [USP-RS], hexanoic acid-6-amino-lactam, 5-21-06-00444 (Beilstein Handbook Reference), SCHEMBL195173, CHEMBL276218, orb1306668, orb3139391, PA 6, PK 4, SCHEMBL1828362, SCHEMBL5095456, SCHEMBL7435324, epsilon-Caprolactam Zone Refined, NIOSH/CM3900000, SCHEMBL28694274, SCHEMBL29195450, 1,6-HEXALACTAM [FHFI], NSC4977, NSC-4977, NSC25536, STR02412, UGA29753, Tox21_202202, Tox21_300163, c0432, MSK001876, NSC-25536, NSC117393, SBB058658, STK378587, AKOS000119969, CS-W011258, EBC-617559, FE31683, HY-W010542, MSK001876-100B, epsilon-Caprolactam, analytical standard, NCGC00247913-01, NCGC00247913-02, NCGC00253933-01, NCGC00259751-01, Caprolactam Solution in Acetone, 100ug/mL, DB-003880, DB-032192, MSK001876-1000, Azepan-2-One; Zinc Acexamate EP Impurity D, CM39000000, NS00008125, ST50308104, Caprolactam Solution in Acetone, 1000?g/mL, EN300-19667, C06593, D70254, ZINC ACEXAMATE IMPURITY D [EP IMPURITY], F835709, Q409397, F0001-0110, InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8
Theoretical properties:
molecular_formula: C6H11NO
molecular_weight: 113.16 g/mol
exact_mass: 113.084063974 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 8
topological_polar_surface_area: 29.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Hygroscopic leaflets from petroleum ether
color: Hygroscopic leaflets from petroleum ether
odor: ... Unpleasant odor ...
boiling_point: 512.4 °F at 760 mmHg (NTP, 1992)
melting_point: 156 °F (NTP, 1992)
density: 1.02 at 170.6 °F (USCG, 1999) - Denser than water; will sink
solubility: greater than or equal to 100 mg/mL at 68.9 °F (NTP, 1992)
flash_point: 257 °F (NTP, 1992)
vapor_pressure: 0.001 mmHg at 68 °F ; 3 mmHg at 212 °F (NTP, 1992)
Descriptions:
pubchem: Epsilon-caprolactam is a member of the class of caprolactams that is azepane substituted by an oxo group at position 2. It has a role as a human blood serum metabolite.
chebi: A member of the class of caprolactams that is azepane substituted by an oxo group at position 2.
chembl: CAPROLACTAM is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Caprolactam (CPL) is an organic compound with the formula (CH2)5C(O)NH. This colourless solid is a lactam (a cyclic amide) of caproic acid. Global demand for this compound is approximately five million tons per year, and the vast majority is used to make nylon 6 filament, fiber, and plastics.