Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1)
[3-(3,4-dihydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride
Also Known As: L-Dopa benzyl ester hydrochloride|RefChem:1079419|AC1L1YA8|3,4-Dihydroxy-L-phenylalanine benzyl ester hydrochloride|Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1)|ALANINE, 3-(3,4-DIHYDROXYPHENYL)-, BENZYL ESTER, HYDROCHLORIDE, L-|L-Tyrosine, 3-hydroxy-, phenylmethyl ester, hydrochloride|[3-(3,4-dihydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride|[3-(3,4-dihydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride
| Molecular Formula | C16H18ClNO4 |
|---|---|
| Molecular Weight | 323.09244 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.09244 |
| Heavy Atoms | 22 |
| Complexity | 618.8 |
Chemical Identifiers
| CAS Number | 37178-28-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CC2=CC(=C(C=C2)O)O)[NH3+].[Cl-] |
Product Overview
Benzyl 3-hydroxytyrosinate--hydrogen chloride (1/1) (CAS 37178-28-2), with molecular formula C16H18ClNO4 and molecular weight 323.09244 g/mol. IUPAC: [3-(3,4-dihydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride.
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