Pubchem ID | 7768 |
---|---|
CAS | 105-60-2 |
IUPAC name | azepan-2-one |
Synonyms | epsilon-Caprolactam|2-Oxohexamethylenimine|Aminocaproic lactam|2H-Azepin-2-one, hexahydro-|Hexahydro-2H-azepin-2-one|2-Azacycloheptanone|6-Hexanelactam|Hexanolactam|2-Perhydroazepinone |
Categories | Flavor enhancer |
SMILES | C1CCC(=O)NCC1 |
InCheykey | InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
Natural | nan |
E No. | - |
GHS Siginal | Warning |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
113.16 | 1 | 1 | 0 | 29.1 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | Weaker / Non binder | Medium | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Degradable |