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Substance Name: Toluene-alpha,4-diamine, N(sup alpha),N(sup alpha)-bis(2-chloroethyl)-, dihydrochloride
RN: 102395-97-1
InChIKey: KGIIPJSNBLATAL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-Cl2-N2.2Cl-H

Molecular Weight

  • 320.0892
 
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Names and Synonyms

Synonyms

  • Bis(beta-chloroethyl)-4-aminobenzylamine dihydrochloride
  • N(sup alpha),N(sup alpha)-Bis(2-chloroethyl)toluene-alpha,4-diamine dihydrochloride

Systematic Name

  • Toluene-alpha,4-diamine, N(sup alpha),N(sup alpha)-bis(2-chloroethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 102395-97-1

System Generated Number

  • 0102395971

Molecular Formulas

Molecular Formula

  • C11-H16-Cl2-N2.2Cl-H

Molecular Formula Fragments

  • C11-H16-Cl2-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H16Cl2N2.2ClH/c12-5-7-15(8-6-13)9-10-1-3-11(14)4-2-10;;/h1-4H,5-9,14H2;2*1H

InChIKey

KGIIPJSNBLATAL-UHFFFAOYSA-N

Smiles

N(Cc1ccc(cc1)N)(CCCl)CCCl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 30mg/kg (30mg/kg)   Pharmaceutical Bulletin. Vol. 5, Pg. 199, 1957.