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Substance Name: beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride
RN: 89796-55-4
InChIKey: YPGQDLVEFYVEDC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H14-Cl-N-O2.Cl-H

Molecular Weight

  • 216.107
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 89796-55-4

System Generated Number

  • 0089796554

Molecular Formulas

Molecular Formula

  • C7-H14-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C7-H14-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C7H14ClNO2.ClH/c1-9(6-4-8)5-3-7(10)11-2;/h3-6H2,1-2H3;1H

InChIKey

YPGQDLVEFYVEDC-UHFFFAOYSA-N

Smiles

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