Caprolactam
PubChem CID: 7768
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| Compound Synonyms | azepan-2-one, CAPROLACTAM, epsilon-Caprolactam, 105-60-2, 2-Oxohexamethylenimine, 6-Caprolactam, Aminocaproic lactam, 6-Hexanelactam, 2-Azacycloheptanone, Hexahydro-2H-azepin-2-one, 2-Oxohexamethyleneimine, Hexanolactam, 2H-Azepin-2-one, hexahydro-, 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, epsilon caprolactam, EINECS 203-313-2, MFCD00006936, Lactam, aminocaproic, NSC 117393, hexanoic acid-6-amino-,lactam, BRN 0106934, DTXSID4020240, CHEBI:28579, AI3-14515, UNII-6879X594Z8, A1030, 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, 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, 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, UGA29753, Tox21_202202, Tox21_300163, c0432, MFCD19226350, MSK001876, NSC-25536, NSC117393, STK378587, AKOS000119969, CM 1001, CM 1011, CM 1031, CM 1041, CS-W011258, FE31683, HY-W010542, epsilon-Caprolactam, analytical standard, NCGC00247913-01, NCGC00247913-02, NCGC00253933-01, NCGC00259751-01, 1ST001876, DB-003880, DB-032192, MSK001876-1000, CM39000000, NS00008125, Caprolactam Solution in Acetone, 1000?g/mL, Caprolactam Solution in Acetone, 1000mug/mL, EN300-19667, C06593, D70254, 1ST001876-1000, Q409397, F0001-0110, InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8, 203-313-2, 919-537-5 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Description | Caprolactam, also known as aminocaproic lactam or hexahydro-2h-azepin-2-one, is a member of the class of compounds known as caprolactams. Caprolactams are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH. Caprolactam is soluble (in water) and a very weakly acidic compound (based on its pKa). Caprolactam is an amine, bitter, and spicy tasting compound found in sunflower, which makes caprolactam a potential biomarker for the consumption of this food product. 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 5 million tons per year, and the vast majority is used to make Nylon 6 filament, fiber, and plastics . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9ES14 |
| Iupac Name | azepan-2-one |
| Nih Violation | False |
| Class | Lactams |
| Xlogp | -0.1 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Caprolactams |
| Molecular Formula | C6H11NO |
| Inchi Key | JBKVHLHDHHXQEQ-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-Aza-2-cycloheptanone, 1,6-Hexalactam, 1,6-Hexolactam, 2-Azacycloheptanone, 2-Azepanone, 2-Ketohexamethyleneimine, 2-Ketohexamethylenimine, 2-Oxohexamethyleneimine, 2-Oxohexamethylenimine, 2-Perhydroazepinone, 2H-Azepin-2-one, hexahydro-, 2H-Azepin-7-one, hexahydro-, 6-amino-hexanoic acid lactam, 6-Aminocaproic acid lactam, 6-Aminohexanoic acid cyclic lactam, 6-Aminohexanoic acid lactam, 6-Caprolactam, 6-Hexanelactam, Akulon, Alkamid, Amilan cm 1001, Aminocaproic lactam, Aza-2-cycloheptanone, azepan-2-one, Bonamid, Capran 77C, Caprolactam, Caprolactam monomer, Caprolattame, Caprolon v, Capron, Chemlon, cis-Hexahydro-2-azepinone, Cyclohexanone iso-oxime, Danamid, Durethan BK, E-caprolactam, E-caprolactum, Epsilon-caprolactam, Ertalon 6sa, Extrom 6N, Gamma-caprolactam, Grilon, Hexahydro-2-azepinone, Hexahydro-2H-azepin-2-one, Hexannic acid, hexanoic acid-6-amino-lactam, Hexanolactam, Hexanone isoxime, Itamid, Kaprolit, Kaprolon, Kapromine, Kapron, Maranyl F 114, Metamid, Miramid H 2, Nipro (I), Nylon A1035sf, Omega-caprolactum, Orgamid rmnocd, Orgamide, Perhydroazepin-2-one, Plaskin 8200, Plaskon 201, Polyamide pk 4, Relon p, Renyl MV, Sipas 60, Spencer 401, Spencer 601, Steelon, Stilon, Stylon, Tarlon x-a, Tarlon XB, Tarnamid T 2, Tarnamid T 27, TNK 2G5, Torayca N 6, U-caprolactam, Ultramid BMK, Vidlon, Widlon, Zytel 211, Kaprolaktam, Hexahydro 2H azepin 2 one, Lactam, aminocaproic |
| Compound Name | Caprolactam |
| Kingdom | Organic compounds |
| Exact Mass | 113.084 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 113.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 113.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
| Smiles | C1CCC(=O)NCC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Caprolactams |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all