Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,4-Butanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-
RN: 100991-85-3
InChIKey: PKPVVXDHYPNNCB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H22-Cl2-N2

Molecular Weight

  • 241.204
 
* 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

  • 4-04-00-01285 (Beilstein Handbook Reference)
  • BRN 1750716
  • N,N'-Bis(2-chloroethyl)-N,N'-dimethyl-1,4-butanediamine

Systematic Name

  • 1,4-Butanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-

Registry Numbers

CAS Registry Number

  • 100991-85-3

System Generated Number

  • 0100991853

Structure Descriptors

InChI

1S/C10H22Cl2N2/c1-13(9-5-11)7-3-4-8-14(2)10-6-12/h3-10H2,1-2H3

InChIKey

PKPVVXDHYPNNCB-UHFFFAOYSA-N

Smiles

C([N@@](CCCl)C)CCC[N@@](CCCl)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 3mg/kg (3mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 6, Pg. 164, 1958.