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Substance Name: Aniline, 4,4'-(pentamethylenedioxy)di-, dihydrochloride
RN: 1092-82-6
InChIKey: WIKZPCRCAPWFQE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-N2-O2.2Cl-H

Molecular Weight

  • 359.295
 
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Names and Synonyms

Synonyms

  • 4,4'-(Pentamethylenedioxy)dianiline dihydrochloride
  • Benzenamine, 4,4'-(1,5-pentanediylbis(oxy))bis-, dihydrochloride
  • M & B 968A

Systematic Name

  • Aniline, 4,4'-(pentamethylenedioxy)di-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 1092-82-6

Related Registry Number

  • 2391-56-2 (Parent)

System Generated Number

  • 0001092826

Molecular Formulas

Molecular Formula

  • C17-H22-N2-O2.2Cl-H

Molecular Formula Fragments

  • C17-H22-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H22N2O2.2ClH/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17;;/h4-11H,1-3,12-13,18-19H2;2*1H

InChIKey

WIKZPCRCAPWFQE-UHFFFAOYSA-N

Smiles

c1(ccc([NH2+])cc1)OCCCCCOc1ccc([NH2+])cc1.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 238, 1958.