Benzenebutanoic acid, β-amino-4-cyano-, hydrochloride (1:1), (βS)-

CAS Registry Number®

332061-88-8

CAS Name

Benzenebutanoic acid, β-amino-4-cyano-, hydrochloride (1:1), (βS)-

Molecular Formula

C11H12N2O2.ClH

Cite this Page

Benzenebutanoic acid, β-amino-4-cyano-, hydrochloride (1:1), (βS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=332061-88-8 (retrieved 2024-12-19) (CAS RN: 332061-88-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H12N2O2.ClH/c12-7-9-3-1-8(2-4-9)5-10(13)6-11(14)15;/h1-4,10H,5-6,13H2,(H,14,15);1H/t10-;/m0./s1

InChIKey

InChIKey=XQQBWUZSLDACSS-PPHPATTJSA-N

SMILES

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

Canonical SMILES

Cl.N#CC1=CC=C(C=C1)CC(N)CC(=O)O

Other Names for this Substance

  • Benzenebutanoic acid, β-amino-4-cyano-, hydrochloride (1:1), (βS)-
  • Benzenebutanoic acid, β-amino-4-cyano-, monohydrochloride, (βS)-

CAS INSIGHTSTM
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