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Substance Name: Benzoic acid, p-(dimethylaminomethyleneamino)-, 2-diethylaminoethyl ester, dihydrochloride
RN: 2452-58-6
InChIKey: YNECUNMGIOXHCS-ZEIDDFDZSA-N

Molecular Formula

  • C16-H25-N3-O2.2Cl-H

Molecular Weight

  • 364.314
 
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Names and Synonyms

Synonyms

  • beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride
  • p-(Dimethylaminomethyleneamino)benzoic acid diethylaminoethyl ester dihydrochloride

Systematic Name

  • Benzoic acid, p-(dimethylaminomethyleneamino)-, 2-diethylaminoethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 2452-58-6

System Generated Number

  • 0002452586

Molecular Formulas

Molecular Formula

  • C16-H25-N3-O2.2Cl-H

Molecular Formula Fragments

  • C16-H25-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25N3O2.2ClH/c1-5-19(6-2)11-12-21-16(20)14-7-9-15(10-8-14)17-13-18(3)4;;/h7-10,13H,5-6,11-12H2,1-4H3;2*1H/b17-13+;;

InChIKey

YNECUNMGIOXHCS-ZEIDDFDZSA-N

Smiles

c1(ccc(\N=C\[N+](C)C)cc1)C(OCC[NH+](CC)CC)=O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01260,