β-(Aminomethyl)-3-chlorobenzenepropanoic acid

CAS Registry Number®

69856-22-0

CAS Name

β-(Aminomethyl)-3-chlorobenzenepropanoic acid

Molecular Formula

C10H12ClNO2

Molecular Mass

213.66

Cite this Page

β-(Aminomethyl)-3-chlorobenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=69856-22-0 (retrieved 2024-10-09) (CAS RN: 69856-22-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H12ClNO2/c11-9-3-1-2-7(4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)

InChIKey

InChIKey=MPBCYSRMIUBLQM-UHFFFAOYSA-N

SMILES

C(CC(O)=O)(CN)C1=CC(Cl)=CC=C1

Canonical SMILES

O=C(O)CC(C=1C=CC=C(Cl)C1)CN

Other Names for this Substance

  • Benzenepropanoic acid, β-(aminomethyl)-3-chloro-
  • Benzenepropanoic acid, β-(aminomethyl)-3-chloro-, (±)-
  • β-(Aminomethyl)-3-chlorobenzenepropanoic acid
  • (±)-β-m-Chlorophenyl-GABA
  • β-m-Chlorophenyl-GABA

Deleted or Replaced CAS Registry Numbers

52237-18-0

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox