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Substance Name: Benzamide, o-(3,3-dimethyltriazeno)-
RN: 33330-89-1
InChIKey: BPIUKMIZYGZZRF-VAWYXSNFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N4-O

Molecular Weight

  • 192.221
 
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Names and Synonyms

Synonyms

  • 1-(2'-Carboxylamidophenyl)-3,3-dimethyltriazene
  • 1-(2'-Karboxylamidofenyl)-3,3-dimethyltriazenu
  • 1-(2'-Karboxylamidofenyl)-3,3-dimethyltriazenu [Czech]
  • 1-(2'-Karboxylamidophenyl)-3,3-dimethyltriazen
  • 1-(2'-Karboxylamidophenyl)-3,3-dimethyltriazen [German]
  • 2-(3,3-Dimethyl-1-triazenyl)benzamide
  • BRN 1841911
  • NSC 136896
  • o-(3,3-Dimethyltriazeno)benzamide

Systematic Names

  • Benzamide, 2-(3,3-dimethyl-1-triazenyl)- (9CI)
  • Benzamide, o-(3,3-dimethyltriazeno)-

Registry Numbers

CAS Registry Number

  • 33330-89-1

System Generated Number

  • 0033330891

Structure Descriptors

InChI

1S/C9H12N4O/c1-13(2)12-11-8-6-4-3-5-7(8)9(10)14/h3-6H,1-2H3,(H2,10,14)/b12-11+

InChIKey

BPIUKMIZYGZZRF-VAWYXSNFSA-N

Smiles

c1(C(=O)N)c(\N=N\N(C)C)cccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 433mg/kg (433mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LD50 oral 56mg/kg (56mg/kg)   Cesko-Slovenska Farmacie. Vol. 27, Pg. 384, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.73 (none)   EXP
Water Solubility 1600 mg/L 25 EST
Vapor Pressure 6.00E-06 mm Hg 25 EST
Henry's Law Constant 2.21E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.86E-12 cm3/molecule-sec 25 EST

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