HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzyl 4-(hydroxyimino)azepane-1-carboxylate
N-Z-1H-AZEPIN-4-ONE OXIME · N-Cbz-hexahydro-1h-azepin-4-one oxime · 1H-Azepine-1-carboxylic acid, hexahydro-4-(hydroxyimino)-, phenylmethyl ester
Identifiers & Physical Properties
| CAS No. | 1360439-33-3 |
|---|---|
| Molecular formula | C14H18N2O3 |
| Average molar mass | 262.3 g/mol |
| Monoisotopic mass | 262.13174244 g/mol |
| SMILES | O=C(OCc1ccccc1)N1CCCC(=NO)CC1 |
| InChIKey | KDZQESRASWATAR-UHFFFAOYSA-N |
| PubChem CID | 73424742 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 62.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 325 |
| Boiling point | 438.5±45.0 °C(Predicted) |
| Density | 1.20±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.25±0.20(Predicted) |