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Substance Name: beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride
RN: 92105-56-1
InChIKey: VFERURGQBKVBDV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-Cl-N-O2.Cl-H

Molecular Weight

  • 292.204
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 92105-56-1

System Generated Number

  • 0092105561

Molecular Formulas

Molecular Formula

  • C13-H18-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C13-H18-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18ClNO2.ClH/c1-17-13(16)7-9-15(10-8-14)11-12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H

InChIKey

VFERURGQBKVBDV-UHFFFAOYSA-N

Smiles

c1(C[N@@H+](CCC(OC)=O)CCCl)ccccc1.[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.