Benzenebutanoic acid, β-amino-α-hydroxy-, hydrochloride (1:1), (αS,βS)-

CAS Registry Number®

129593-20-0

CAS Name

Benzenebutanoic acid, β-amino-α-hydroxy-, hydrochloride (1:1), (αS,βS)-

Molecular Formula

C10H13NO3.ClH

Cite this Page

Benzenebutanoic acid, β-amino-α-hydroxy-, hydrochloride (1:1), (αS,βS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129593-20-0 (retrieved 2024-12-19) (CAS RN: 129593-20-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228-230 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H13NO3.ClH/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7;/h1-5,8-9,12H,6,11H2,(H,13,14);1H/t8-,9-;/m0./s1

InChIKey

InChIKey=OPVMPYQFOLATCK-OZZZDHQUSA-N

SMILES

C([C@@H]([C@@H](C(O)=O)O)N)C1=CC=CC=C1.Cl

Canonical SMILES

Cl.O=C(O)C(O)C(N)CC=1C=CC=CC1

Other Names for this Substance

  • Benzenebutanoic acid, β-amino-α-hydroxy-, hydrochloride (1:1), (αS,βS)-
  • Benzenebutanoic acid, β-amino-α-hydroxy-, hydrochloride, [S-(R*,R*)]-
  • Benzenebutanoic acid, β-amino-α-hydroxy-, hydrochloride, (αS,βS)-
  • (2S,3S)-3-Amino-2-hydroxy-4-phenylbutyric acid hydrochloride

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