Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, hydrochloride (1:1), (βS)-

CAS Registry Number®

1217809-78-3
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CAS Name

Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, hydrochloride (1:1), (βS)-

Molecular Formula

C10H10F3NO2.ClH

Cite this Page

Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, hydrochloride (1:1), (βS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1217809-78-3 (retrieved 2024-08-11) (CAS RN: 1217809-78-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H10F3NO2.ClH/c11-7-4-9(13)8(12)2-5(7)1-6(14)3-10(15)16;/h2,4,6H,1,3,14H2,(H,15,16);1H/t6-;/m0./s1

InChIKey

InChIKey=FZHZEWNJQKHBTG-RGMNGODLSA-N

SMILES

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

Canonical SMILES

Cl.O=C(O)CC(N)CC1=CC(F)=C(F)C=C1F

Other Names for this Substance

  • Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, hydrochloride (1:1), (βS)-
  • (S)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid hydrochloride
  • (s)-3-Amino-4-(2,4,5-trifluoro-phenyl)-butyric acid-hydrochloride