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Substance Name: 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride
RN: 100447-57-2
InChIKey: LVRFYDCLCPKDSV-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-Cl-N-O2.Cl-H

Molecular Weight

  • 278.177
 
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Names and Synonyms

Synonym

  • 2-(N-Methyl-N-(2-chloroethyl)aminomethyl)-1,4-benzodioxan hydrochloride

Systematic Name

  • 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 100447-57-2

System Generated Number

  • 0100447572

Molecular Formulas

Molecular Formula

  • C12-H16-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C12-H16-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H16ClNO2.ClH/c1-14(7-6-13)8-10-9-15-11-4-2-3-5-12(11)16-10;/h2-5,10H,6-9H2,1H3;1H

InChIKey

LVRFYDCLCPKDSV-UHFFFAOYSA-N

Smiles

c12c(OC[C@@H](O1)C[N@@H+](CCCl)C)cccc2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07378,