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Substance Name: Benzoic acid, p-(3-(p-methylbenzyl)-3-methyl-1-triazeno)-
RN: 65542-17-8
InChIKey: UZYAHEMKIISOPE-ISLYRVAYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N3-O2

Molecular Weight

  • 283.329
 
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Names and Synonyms

Synonyms

  • BRN 1823007
  • p-(3-(p-Methylbenzyl)-3-methyl-1-triazeno)benzoic acid

Systematic Name

  • Benzoic acid, p-(3-(p-methylbenzyl)-3-methyl-1-triazeno)-

Registry Numbers

CAS Registry Number

  • 65542-17-8

System Generated Number

  • 0065542178

Structure Descriptors

InChI

1S/C16H17N3O2/c1-12-3-5-13(6-4-12)11-19(2)18-17-15-9-7-14(8-10-15)16(20)21/h3-10H,11H2,1-2H3,(H,20,21)/b18-17+

InChIKey

UZYAHEMKIISOPE-ISLYRVAYSA-N

Smiles

c1(ccc(C(O)=O)cc1)\N=N\N(Cc1ccc(C)cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 504mg/kg (504mg/kg)   Journal of Pharmaceutical Sciences. Vol. 66, Pg. 1416, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.75 (none)   EXP
Water Solubility 1.350 mg/L 25 EST
Vapor Pressure 6.12E-08 mm Hg 25 EST
Henry's Law Constant 9.62E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.70E-11 cm3/molecule-sec 25 EST

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