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Substance Name: beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride
RN: 89583-19-7
InChIKey: FEDFBUBSNGFRPP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H12-Cl-N-O2.Cl-H

Molecular Weight

  • 202.08
 
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Names and Synonyms

Synonyms

  • N-(2-Chloroethyl)-N-methyl-beta-alanine hydrochloride
  • N-Methyl-N-(2-chloroethyl)-beta-alanine hydrochloride

Systematic Name

  • beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 89583-19-7

System Generated Number

  • 0089583197

Molecular Formulas

Molecular Formula

  • C6-H12-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C6-H12-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C6H12ClNO2.ClH/c1-8(5-3-7)4-2-6(9)10;/h2-5H2,1H3,(H,9,10);1H

InChIKey

FEDFBUBSNGFRPP-UHFFFAOYSA-N

Smiles

C([N@@H+](CCCl)C)CC(O)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 75mg/kg (75mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 9, Pg. 996, 1961.