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Substance Name: Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, compd. with 2,4,6-trinitrophenol (1:2)
RN: 126002-24-2
InChIKey: INOPEJQYJWNVOS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H26-N2-O.2C6-H3-N3-O7

Molecular Weight

  • 708.5908
 
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Names and Synonyms

Synonym

  • 4-(2-(Diethylamino)ethoxy)-alpha-methylbenzeneethanamine dipicrate

Systematic Name

  • Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, compd. with 2,4,6-trinitrophenol (1:2)

Registry Numbers

CAS Registry Number

  • 126002-24-2

System Generated Number

  • 0126002242

Molecular Formulas

Molecular Formula

  • C15-H26-N2-O.2C6-H3-N3-O7

Molecular Formula Fragments

  • C15-H26-N2-O
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C15H26N2O.2C6H3N3O7/c1-4-17(5-2)10-11-18-15-8-6-14(7-9-15)12-13(3)16;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9,13H,4-5,10-12,16H2,1-3H3;2*1-2,10H

InChIKey

INOPEJQYJWNVOS-UHFFFAOYSA-N

Smiles

CCN(CC)CCOc1ccc(cc1)CC(C)N.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 1773mg/kg (1773mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1721, 1989.