HuagongsheHuagongshe Chemistry Print Report · For research reference only
(1,2-Diphenyl-ethyl)-carbamic acid 4-nitro-benzyl ester
(1,2-Diphenyl-ethyl)-carbamic acid 4-nitro-benzyl ester · Carbamic acid, (1,2-diphenylethyl)-, (4-nitrophenyl)methyl ester
Identifiers & Physical Properties
| CAS No. | 883807-88-3 |
|---|---|
| Molecular formula | C22H20N2O4 |
| Average molar mass | 376.4 g/mol |
| Monoisotopic mass | 376.14230712 g/mol |
| SMILES | O=C(NC(Cc1ccccc1)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 |
| InChIKey | QPUMTIYFEPJZFK-UHFFFAOYSA-N |
| PubChem CID | 4534412 |
| EC No. | 163-879-0 |
Chemical & Physical Properties
| XLogP | 4.8 |
|---|---|
| Topological polar surface area | 84.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 487 |
| Boiling point | 569.385±50.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.248±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 11.403±0.46(predicted) |