Benzenepropanoic acid, β-amino-3-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (βS)-

CAS Registry Number®

1354970-79-8
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CAS Name

Benzenepropanoic acid, β-amino-3-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (βS)-

Molecular Formula

C11H12F3NO2.ClH

Cite this Page

Benzenepropanoic acid, β-amino-3-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (βS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1354970-79-8 (retrieved 2024-06-26) (CAS RN: 1354970-79-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H12F3NO2.ClH/c1-17-10(16)6-9(15)7-3-2-4-8(5-7)11(12,13)14;/h2-5,9H,6,15H2,1H3;1H/t9-;/m0./s1

InChIKey

InChIKey=DGWMURZHACRUMX-FVGYRXGTSA-N

SMILES

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

Canonical SMILES

Cl.O=C(OC)CC(N)C1=CC=CC(=C1)C(F)(F)F

Other Names for this Substance

  • Benzenepropanoic acid, β-amino-3-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (βS)-
  • Methyl (S)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate hydrochloride

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