Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-
octyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
Also Known As: DL-3-Phenylalanine octyl ester hydrochloride|Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-|octyl (2S)-2-amino-3-phenylpropanoate;hydrochloride|Octyl L-phenylalaninate--hydrogen chloride (1/1)|octyl (2S)-2-amino-3-phenylpropanoate hydrochloride|octyl (2S)-2-amino-3-phenylpropanoate,hydrochloride
CAS: 49554-10-1
| Molecular Formula | C17H28ClNO2 |
|---|---|
| Molecular Weight | 313.18085 g/mol |
| LogP | 3.8819 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 313.18085 |
| Monoisotopic Mass | 313.18085 |
| Heavy Atoms | 21 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 49554-10-1 |
|---|---|
| SMILES | CCCCCCCCOC(=O)[C@H](CC1=CC=CC=C1)N.Cl |
| InChIKey | LCMSTKOWXRZFRM-NTISSMGPSA-N |
Product Overview
Alanine, 3-phenyl-, octyl ester, hydrochloride, DL- (CAS 49554-10-1), with molecular formula C17H28ClNO2 and molecular weight 313.18085 g/mol. IUPAC: octyl (2S)-2-amino-3-phenylpropanoate;hydrochloride.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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