Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, p-(3-(p-acetamidobenzyl)-3-methyl-1-triazeno)-
RN: 65542-19-0
InChIKey: KRBFPTXUUCFGIA-FMQUCBEESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N4-O3

Molecular Weight

  • 326.354
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • BRN 1826833
  • p-(3-(p-Acetamidobenzyl)-3-methyl-1-triazeno)benzoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 65542-19-0

System Generated Number

  • 0065542190

Structure Descriptors

InChI

1S/C17H18N4O3/c1-12(22)18-15-7-3-13(4-8-15)11-21(2)20-19-16-9-5-14(6-10-16)17(23)24/h3-10H,11H2,1-2H3,(H,18,22)(H,23,24)/b20-19+

InChIKey

KRBFPTXUUCFGIA-FMQUCBEESA-N

Smiles

c1(ccc(NC(C)=O)cc1)CN(\N=N\c1ccc(C(O)=O)cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2009mg/kg (2009mg/kg)   Journal of Pharmaceutical Sciences. Vol. 66, Pg. 1416, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.35 (none)   EXP
Water Solubility 11.8 mg/L 25 EST
Vapor Pressure 1.97E-11 mm Hg 25 EST
Henry's Law Constant 9.99E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.60E-11 cm3/molecule-sec 25 EST

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