Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride
(1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,3-diphenylpropanoate chloride
Also Known As: AC1Q1SHK|RefChem:1088808|AC1L1PY7|1-Methyl-4-piperidyl benzylphenylglycolate hydrochloride|alpha-Benzylmandelic acid 1-methyl-4-piperidyl ester hydrochloride|MANDELIC ACID, alpha-BENZYL-, 1-METHYL-4-PIPERIDYL ESTER, HYDROCHLORIDE|(1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,3-diphenylpropanoate chloride|(1-methylpiperidin-1-ium-4-yl)2-hydroxy-2,3-diphenylpropanoate|(1-Methylpiperidin-1-ium-4-yl)2-hydroxy-2,3-diphenylpropanoate chloride|4-[(2-hydroxy-2,3-diphenylpropanoyl)oxy]-1-methylpiperidinium chloride
| Molecular Formula | C21H26ClNO3 |
|---|---|
| Molecular Weight | 375.16013 g/mol |
| LogP | -1.66 |
| Topological Polar Surface Area | 50.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.16013 |
| Heavy Atoms | 26 |
| Complexity | 686.9 |
Chemical Identifiers
| CAS Number | 101756-45-0 |
|---|---|
| SMILES | C[NH+]1CCC(CC1)OC(=O)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-] |
Product Overview
Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride (CAS 101756-45-0), with molecular formula C21H26ClNO3 and molecular weight 375.16013 g/mol. IUPAC: (1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,3-diphenylpropanoate chloride.
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