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Substance Name: Benzoic acid, m-((p-(dimethylamino)phenyl)azo)-
RN: 20691-84-3
InChIKey: JAMPLPMVLCTBSB-WUKNDPDISA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C15-H15-N3-O2

Molecular Weight

  • 269.302
 
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Names and Synonyms

Synonyms

  • 3'-Carboxy-4-dimethylaminoazobenzene
  • 3-((p-(Dimethylamino)phenyl)azo)benzoic acid
  • 4-16-00-00505 (Beilstein Handbook Reference)
  • BRN 1843300

Systematic Name

  • Benzoic acid, m-((p-(dimethylamino)phenyl)azo)-

Registry Numbers

CAS Registry Number

  • 20691-84-3

System Generated Number

  • 0020691843

Structure Descriptors

InChI

1S/C15H15N3O2/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(10-13)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+

InChIKey

JAMPLPMVLCTBSB-WUKNDPDISA-N

Smiles

c1(cc(ccc1)C(O)=O)\N=N\c1ccc(N(C)C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3757mg/kg (3757mg/kg)   Neoplasma. Vol. 27, Pg. 237, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 2.64 (none)   EXP
log P (octanol-water) 4.170 (none)   EST
Water Solubility 1.870 mg/L 25 EST
Vapor Pressure 1.44E-07 mm Hg 25 EST
Henry's Law Constant 4.71E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.50E-10 cm3/molecule-sec 25 EST

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