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Substance Name: Benzoic acid, p-(3-benzyl-3-methyl-1-triazeno)-
RN: 65587-38-4
InChIKey: MBZDFRQDGNXUKS-WUKNDPDISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-N3-O2

Molecular Weight

  • 269.302
 
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Names and Synonyms

Synonyms

  • BRN 1843171
  • p-(3-Benzyl-3-methyl-1-triazeno)benzoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 65587-38-4

System Generated Number

  • 0065587384

Structure Descriptors

InChI

1S/C15H15N3O2/c1-18(11-12-5-3-2-4-6-12)17-16-14-9-7-13(8-10-14)15(19)20/h2-10H,11H2,1H3,(H,19,20)/b17-16+

InChIKey

MBZDFRQDGNXUKS-WUKNDPDISA-N

Smiles

c1(ccc(C(O)=O)cc1)\N=N\N(Cc1ccccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 674mg/kg (674mg/kg)   Journal of Pharmaceutical Sciences. Vol. 66, Pg. 1416, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.04 (none)   EXP
Water Solubility 6.540 mg/L 25 EST
Vapor Pressure 1.32E-07 mm Hg 25 EST
Henry's Law Constant 8.72E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.55E-11 cm3/molecule-sec 25 EST

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