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Substance Name: 1,2-Ethanediamine, N',N'-diethyl-N-(2-(4-(2-(diethylamino)ethoxy)phenyl)-1-methylethyl)-N-methyl-, compd. with 2,4,6-trinitrophenol (1:3)
RN: 126002-41-3
InChIKey: PAEBMKYLDCTIOR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H41-N3-O.3C6-H3-N3-O7

Molecular Weight

  • 1050.897
 
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Names and Synonyms

  • 1,2-Ethanediamine, N',N'-diethyl-N-(2-(4-(2-(diethylamino)ethoxy)phenyl)-1-methylethyl)-N-methyl-, compd. with 2,4,6-trinitrophenol (1:3)

Registry Numbers

CAS Registry Number

  • 126002-41-3

System Generated Number

  • 0126002413

Molecular Formulas

Molecular Formula

  • C22-H41-N3-O.3C6-H3-N3-O7

Molecular Formula Fragments

  • C22-H41-N3-O
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C22H41N3O.3C6H3N3O7/c1-7-24(8-2)16-15-23(6)20(5)19-21-11-13-22(14-12-21)26-18-17-25(9-3)10-4;3*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11-14,20H,7-10,15-19H2,1-6H3;3*1-2,10H

InChIKey

PAEBMKYLDCTIOR-UHFFFAOYSA-N

Smiles

CCN(CC)CCN(C)C(C)Cc1ccc(cc1)OCCN(CC)CC.c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2013mg/kg (2013mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1721, 1989.