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Substance Name: Benzoic acid, p-(3-methyl-3-(p-nitrobenzyl)-1-triazeno)-
RN: 65542-15-6
InChIKey: WQUKDBHBKGMTDS-WUKNDPDISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-N4-O4

Molecular Weight

  • 314.3
 
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Names and Synonyms

Synonyms

  • BRN 1827326
  • p-(3-Methyl-3-(p-nitrobenzyl)-1-triazeno)benzoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 65542-15-6

System Generated Number

  • 0065542156

Structure Descriptors

InChI

1S/C15H14N4O4/c1-18(10-11-2-8-14(9-3-11)19(22)23)17-16-13-6-4-12(5-7-13)15(20)21/h2-9H,10H2,1H3,(H,20,21)/b17-16+

InChIKey

WQUKDBHBKGMTDS-WUKNDPDISA-N

Smiles

c1(ccc(C(O)=O)cc1)\N=N\N(Cc1ccc([N+](=O)[O-])cc1)C

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) 4.03 (none)   EXP
Water Solubility 1.490 mg/L 25 EST
Vapor Pressure 1.84E-09 mm Hg 25 EST
Henry's Law Constant 3.44E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.13E-11 cm3/molecule-sec 25 EST

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