Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,4-Butanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, dihydrochloride
RN: 3895-63-4
InChIKey: BKRXVUWBSRZMDC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H26-Cl2-N2.2Cl-H

Molecular Weight

  • 342.179
 
* 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,N-Bis(2-chloroethyl)-N',N'-diethyl-1,4-butanediamine dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 3895-63-4

System Generated Number

  • 0003895634

Molecular Formulas

Molecular Formula

  • C12-H26-Cl2-N2.2Cl-H

Molecular Formula Fragments

  • C12-H26-Cl2-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H26Cl2N2.2ClH/c1-3-15(4-2)9-5-6-10-16(11-7-13)12-8-14;;/h3-12H2,1-2H3;2*1H

InChIKey

BKRXVUWBSRZMDC-UHFFFAOYSA-N

Smiles

[NH+](CCCC[NH+](CC)CC)(CCCl)CCCl.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 3mg/kg (3mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 9, Pg. 343, 1961.