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Substance Name: Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride
RN: 111438-62-1
InChIKey: JYKTXELQBPFWIA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H32-N2-O2.2Cl-H

Molecular Weight

  • 429.429
 
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Names and Synonyms

Synonyms

  • 4,4'-(Octamethylenedioxy)bis(N-methylaniline) dihydrochloride
  • M & B 2841

Systematic Name

  • Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 111438-62-1

System Generated Number

  • 0111438621

Molecular Formulas

Molecular Formula

  • C22-H32-N2-O2.2Cl-H

Molecular Formula Fragments

  • C22-H32-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H32N2O2.2ClH/c1-23-19-9-13-21(14-10-19)25-17-7-5-3-4-6-8-18-26-22-15-11-20(24-2)12-16-22;;/h9-16,23-24H,3-8,17-18H2,1-2H3;2*1H

InChIKey

JYKTXELQBPFWIA-UHFFFAOYSA-N

Smiles

c1(ccc([NH+]C)cc1)OCCCCCCCCOc1ccc([NH+]C)cc1.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1800mg/kg (1800mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 238, 1958.