HuagongsheHuagongshe Chemistry Print Report · For research reference only
BOC-L-Alanine benzyl ester
Boc-Ala-OBzl · Boc-L-Ala-OBzl · Boc-L-Ala-Obzl-OH · BOC-ALA-OBZL USP/EP/BP · BOC-L-ALANINE BENZYL ESTER · N-Boc-L-alanine Benzyl Ester · Boc-L-Alanine benzyl ester,95% · N-Boc-L-alanine benzyl ester, 98%

Identifiers & Physical Properties
| CAS No. | 51814-54-1 |
|---|---|
| Molecular formula | C15H21NO4 |
| Average molar mass | 279.33 g/mol |
| Monoisotopic mass | 279.14705815 g/mol |
| SMILES | C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 |
| InChIKey | KZNCFIIFMFCSHL-NSHDSACASA-N |
| PubChem CID | 10972741 |
| DTXSID | DTXSID00450288 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 64.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 329 |
| Melting point | 25.5-26℃ (ligroine ) |
| Boiling point | 392.7±25.0 °C(Predicted) |
| Density | 1.099±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| Physical state | 26°C Liquid |
| pKa (acidity coefficient) | 11.19±0.46(Predicted) |
| Color | Colorless to off-white |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H401 |
| GHS precautionary statements | P501-P273-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H401 |
| GHS precautionary statements | P501-P273-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330 |
Applications & Uses
Uses
Boc-L-Alanine benzyl ester is an alanine derivative[1].