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Substance Name: Benzylamine, N,N-bis(2-chloroethyl)-4-propoxy-3-nitro-, hydrochloride
RN: 77905-53-4
InChIKey: JPRJPOPXYBVDDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-Cl2-N2-O3.Cl-H

Molecular Weight

  • 371.69
 
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Names and Synonyms

Synonyms

  • 4-Propoxy-3-nitrobenzyl-bis(2-chloroethyl)amine hydrochloride
  • N,N-Bis(2-chloroethyl)-4-propoxy-3-nitro-benzylamine hydrochloride

Systematic Name

  • Benzylamine, N,N-bis(2-chloroethyl)-4-propoxy-3-nitro-, hydrochloride

Registry Numbers

CAS Registry Number

  • 77905-53-4

System Generated Number

  • 0077905534

Molecular Formulas

Molecular Formula

  • C14-H20-Cl2-N2-O3.Cl-H

Molecular Formula Fragments

  • C14-H20-Cl2-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H20Cl2N2O3.ClH/c1-2-9-21-14-4-3-12(10-13(14)18(19)20)11-17(7-5-15)8-6-16;/h3-4,10H,2,5-9,11H2,1H3;1H

InChIKey

JPRJPOPXYBVDDK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 208mg/kg (208mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Pharmaceutical Chemistry Journal Vol. 15, Pg. 81, 1981.