HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Carbobenzoxyglycine 1,2-dibromoethyl ester
N-Benzyloxycarbonylglycine 1,2-dibromoethyl ester · N-(Benzyloxycarbonyl)glycine 1,2-dibromoethyl ester · Glycine, N-[(phenylmethoxy)carbonyl]-, 1,2-dibromoethyl ester
Identifiers & Physical Properties
| CAS No. | 64187-25-3 |
|---|---|
| Molecular formula | C12H13Br2NO4 |
| Average molar mass | 395.04 g/mol |
| Monoisotopic mass | 392.92113 g/mol |
| SMILES | O=C(CNC(=O)OCc1ccccc1)OC(Br)CBr |
| InChIKey | CMTVPQLIRWBCIV-UHFFFAOYSA-N |
| PubChem CID | 47310 |
| ChEMBL | CHEMBL3276021 |
| DTXSID | DTXSID80982719 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 64.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 8 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 295 |
| Melting point | 57°C |
| Density | 1.8324 (rough estimate) |
| Refractive index | 1.6220 (estimate) |
| FDA UNII | ED2037QT6S |