Hexamide
azepan-1-yl(phenyl)methanone
Also Known As: Hexamide|Benzimine|Benzimin|Hexamid|1-Benzoylhexahydro-1H-azepine|azepan-1-yl(phenyl)methanone|1-Benzoylperhydroazepine|N-Benzoylhexahydroazepine|N-Benzoylhexamethylenimine|1-Benzoylhexamethylenimine|1-BENZOYLAZEPANE|N-Benzoylhexamethyleneimine|Hexamide (VAN)|P 401 (insect repellent)|Hexamethylene, 1-benzoyl-|Hexamid (insect repellent)|starbld0002784|1H-Azepine, 1-benzoylhexahydro-|1-benzoyl-perhydro-azepine|Perhydroazepin-1-yl phenyl ketone|Azepan-1-yl-phenyl-methanone|(Azepan-1-yl)(phenyl)methanone|P 401|R 225|NCGC00246272-01|5-20-04-00031 (Beilstein Handbook Reference)
| Molecular Formula | C13H17NO |
|---|---|
| Molecular Weight | 203.13101 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.13101 |
| Monoisotopic Mass | 203.13101 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 3653-39-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC=CC=C2 |
| InChIKey | KZLCCMBSJDXNDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexamide (CAS 3653-39-2), with molecular formula C13H17NO and molecular weight 203.13101 g/mol. IUPAC: azepan-1-yl(phenyl)methanone.