beta-Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-
octyl 3-amino-3-phenylpropanoate;hydrochloride
Also Known As: beta-Alanine, 3-phenyl-, octyl ester, hydrochloride, DL-|DL-3-Phenyl-beta-alanine octyl ester hydrochloride|octyl 3-amino-3-phenylpropanoate hydrochloride|Benzenepropanoic acid, beta-amino-, octyl ester, hydrochloride, (+-)-|Octyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)
CAS: 87252-92-4
| Molecular Formula | C17H28ClNO2 |
|---|---|
| Molecular Weight | 313.18085 g/mol |
| LogP | 4.402 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 313.18085 |
| Monoisotopic Mass | 313.18085 |
| Heavy Atoms | 21 |
| Complexity | 370.31268 |
Chemical Identifiers
| CAS Number | 87252-92-4 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CC(C1=CC=CC=C1)N.Cl |
Product Overview
beta-Alanine, 3-phenyl-, octyl ester, hydrochloride, DL- (CAS 87252-92-4), with molecular formula C17H28ClNO2 and molecular weight 313.18085 g/mol. IUPAC: octyl 3-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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