Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: beta-Alanine, N-benzyl-N-(2-chloroethyl)-, hydrochloride
RN: 91802-85-6
InChIKey: FWACOTOTSNQGAU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-Cl-N-O2.Cl-H

Molecular Weight

  • 278.177
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 91802-85-6

System Generated Number

  • 0091802856

Molecular Formulas

Molecular Formula

  • C12-H16-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C12-H16-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H16ClNO2.ClH/c13-7-9-14(8-6-12(15)16)10-11-4-2-1-3-5-11;/h1-5H,6-10H2,(H,15,16);1H

InChIKey

FWACOTOTSNQGAU-UHFFFAOYSA-N

Smiles

C([N@@H+](CCC(O)=O)CCCl)c1ccccc1.[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.