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Substance Name: Ethylenediamine, N-(alpha-(p-chlorophenyl)benzyl)-N',N'-dibenzyl-, oxalate
RN: 23921-06-4
InChIKey: SIEIKLAFYOWDSY-UHFFFAOYSA-N

Molecular Formula

  • C29-H29-Cl-N2.C2-H2-O4

Molecular Weight

  • 531.049
 
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Names and Synonyms

Synonym

  • N-(alpha-(p-Chlorophenyl)benzyl)-N',N'-dibenzylethylenediamine oxalate

Systematic Name

  • Ethylenediamine, N-(alpha-(p-chlorophenyl)benzyl)-N',N'-dibenzyl-, oxalate

Registry Numbers

CAS Registry Number

  • 23921-06-4

System Generated Number

  • 0023921064

Molecular Formulas

Molecular Formula

  • C29-H29-Cl-N2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C29-H29-Cl-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C29H29ClN2.C2H2O4/c30-28-18-16-27(17-19-28)29(26-14-8-3-9-15-26)31-20-21-32(22-24-10-4-1-5-11-24)23-25-12-6-2-7-13-25;3-1(4)2(5)6/h1-19,29,31H,20-23H2;(H,3,4)(H,5,6)

InChIKey

SIEIKLAFYOWDSY-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccccc2)[NH2+]CC[NH+](Cc2ccccc2)Cc2ccccc2)ccc(Cl)cc1.C(C(=O)[O-])(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 860, 1969.