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Substance Name: Triazene, 1-(p-cyanophenyl)-3,3-dimethyl-
RN: 23456-95-3
InChIKey: RBUDTHMFOGHSOD-VAWYXSNFSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C9-H10-N4

Molecular Weight

  • 174.206
 
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Names and Synonyms

Synonyms

  • 1-(p-Cyanophenyl)-3,3-dimethyltriazene
  • NSC 157034
  • Triazene, 1-(p-cyanophenyl)-3,3-dimethyl-

Systematic Names

  • Benzonitrile, 4-(3,3-dimethyl-1-triazenyl)- (9CI)
  • Triazene, 1-(p-cyanophenyl)-3,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 23456-95-3

System Generated Number

  • 0023456953

Structure Descriptors

InChI

1S/C9H10N4/c1-13(2)12-11-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3/b12-11+

InChIKey

RBUDTHMFOGHSOD-VAWYXSNFSA-N

Smiles

c1cc(C#N)ccc1\N=N\N(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 477mg/kg (477mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 1299, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.39 (none)   EXP
Water Solubility 290 mg/L 25 EST
Vapor Pressure 1.72E-03 mm Hg 25 EST
Henry's Law Constant 5.19E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.63E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.