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Substance Name: Benzonitrile, p-(3-benzyl-3-methyl-1-triazeno)-
RN: 65542-21-4
InChIKey: HGLKQTLPFOLZJL-ISLYRVAYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-N4

Molecular Weight

  • 250.304
 
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Names and Synonyms

Synonyms

  • BRN 1821485
  • p-(3-Benzyl-3-methyl-1-triazeno)benzonitrile

Systematic Name

  • Benzonitrile, p-(3-benzyl-3-methyl-1-triazeno)-

Registry Numbers

CAS Registry Number

  • 65542-21-4

System Generated Number

  • 0065542214

Structure Descriptors

InChI

1S/C15H14N4/c1-19(12-14-5-3-2-4-6-14)18-17-15-9-7-13(11-16)8-10-15/h2-10H,12H2,1H3/b18-17+

InChIKey

HGLKQTLPFOLZJL-ISLYRVAYSA-N

Smiles

c1(CN(\N=N\c2ccc(C#N)cc2)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 647mg/kg (647mg/kg)   Journal of Pharmaceutical Sciences. Vol. 66, Pg. 1416, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.82 (none)   EXP
Water Solubility 7.000 mg/L 25 EST
Vapor Pressure 2.08E-06 mm Hg 25 EST
Henry's Law Constant 4.19E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.49E-11 cm3/molecule-sec 25 EST

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