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Substance Name: Benzylamine, N,N-bis(2-chloroethyl)-alpha-methyl-, hydrochloride
RN: 100427-81-4
InChIKey: NVFRRXNOTODTTJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-Cl2-N.Cl-H

Molecular Weight

  • 282.64
 
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Names and Synonyms

Synonym

  • N,N-Bis(2-chloroethyl)-alpha-methylbenzylamine hydrochloride

Systematic Name

  • Benzylamine, N,N-bis(2-chloroethyl)-alpha-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 100427-81-4

System Generated Number

  • 0100427814

Molecular Formulas

Molecular Formula

  • C12-H17-Cl2-N.Cl-H

Molecular Formula Fragments

  • C12-H17-Cl2-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17Cl2N.ClH/c1-11(12-5-3-2-4-6-12)15(9-7-13)10-8-14;/h2-6,11H,7-10H2,1H3;1H

InChIKey

NVFRRXNOTODTTJ-UHFFFAOYSA-N

Smiles

[NH+]([C@@H](c1ccccc1)C)(CCCl)CCCl.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 30mg/kg (30mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 807, 1960.