Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride
RN: 98435-03-1
InChIKey: HDNAUNRJPOGZRY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H13-Cl2-N-O2.Cl-H

Molecular Weight

  • 250.552
 
* 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

Synonyms

  • 3-(Bis-(2-chloroethyl)amino)propionic acid hydrochloride
  • N,N-Bis(2-chloroethyl)-beta-alanine hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 98435-03-1

System Generated Number

  • 0098435031

Molecular Formulas

Molecular Formula

  • C7-H13-Cl2-N-O2.Cl-H

Molecular Formula Fragments

  • C7-H13-Cl2-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C7H13Cl2NO2.ClH/c8-2-5-10(6-3-9)4-1-7(11)12;/h1-6H2,(H,11,12);1H

InChIKey

HDNAUNRJPOGZRY-UHFFFAOYSA-N

Smiles

[NH+](CCC(O)=O)(CCCl)CCCl.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 7500ug/kg (7.5mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 732, 1960.