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Substance Name: Benzoic acid, m-(3,3-dimethyltriazeno)-
RN: 20241-07-0
InChIKey: BCPNATPABYLXNW-ZHACJKMWSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C9-H11-N3-O2

Molecular Weight

  • 193.205
 
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Names and Synonyms

Synonyms

  • 1-(3-Carboxyphenyl)-3,3-dimethyltriazene
  • 1-(m-Carboxyphenyl)-3,3-dimethyltriazene
  • Benzoic acid, m-(3,3-dimethyltriazeno)-
  • BRN 1841906
  • m-(3,3-Dimethyltriazeno)benzoic acid
  • NSC 186033
  • Triazene, 1-(m-carboxyphenyl)-3,3-dimethyl-

Systematic Names

  • Benzoic acid, 3-(3,3-dimethyl-1-triazenyl)- (9CI)
  • Benzoic acid, m-(3,3-dimethyl-1-triazeno)- (8CI)
  • Benzoic acid, m-(3,3-dimethyltriazeno)-

Registry Numbers

CAS Registry Number

  • 20241-07-0

System Generated Number

  • 0020241070

Structure Descriptors

InChI

1S/C9H11N3O2/c1-12(2)11-10-8-5-3-4-7(6-8)9(13)14/h3-6H,1-2H3,(H,13,14)/b11-10+

InChIKey

BCPNATPABYLXNW-ZHACJKMWSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 546mg/kg (546mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 1299, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.03 (none)   EXP
Water Solubility 875 mg/L 25 EST
Vapor Pressure 5.67E-05 mm Hg 25 EST
Henry's Law Constant 1.08E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.34E-12 cm3/molecule-sec 25 EST

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