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Substance Name: Benzylamine, N,N-bis(2-chloroethyl)-4-nitro-, hydrochloride
RN: 40136-95-6
InChIKey: JDIDLDRXEFSBCW-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-Cl2-N2-O2.Cl-H

Molecular Weight

  • 313.611
 
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Names and Synonyms

Synonym

  • N,N-Bis(2-chloroethyl)-4-nitrobenzylamine hydrochloride

Systematic Name

  • Benzylamine, N,N-bis(2-chloroethyl)-4-nitro-, hydrochloride

Registry Numbers

CAS Registry Number

  • 40136-95-6

System Generated Number

  • 0040136956

Molecular Formulas

Molecular Formula

  • C11-H14-Cl2-N2-O2.Cl-H

Molecular Formula Fragments

  • C11-H14-Cl2-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H14Cl2N2O2.ClH/c12-5-7-14(8-6-13)9-10-1-3-11(4-2-10)15(16)17;/h1-4H,5-9H2;1H

InChIKey

JDIDLDRXEFSBCW-UHFFFAOYSA-N

Smiles

c1(C[NH+](CCCl)CCCl)ccc([N+](=O)[O-])cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 25mg/kg (25mg/kg)   Journal of the National Cancer Institute. Vol. 50, Pg. 243, 1973.