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Substance Name: 1-(4-Carboxamidophenyl)-3,3-dimethyltriazene
RN: 33330-91-5
InChIKey: NRVPCDAKWQWYRU-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C9-H12-N4-O

Molecular Weight

  • 192.221
 
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Names and Synonyms

Name of Substance

  • 1-(4-Carboxamidophenyl)-3,3-dimethyltriazene

Synonyms

  • 1-(4'-Carboxylamidophenyl)-3,3-dimethyltriazine
  • 1-(4'-Karboxylamidofenyl)-3,3-dimethyltriazenu
  • 1-(4'-Karboxylamidofenyl)-3,3-dimethyltriazenu [Czech]
  • 1-(4'-Karboxylamidophenyl)-3,3-dimethyltriazen
  • 1-(4'-Karboxylamidophenyl)-3,3-dimethyltriazen [German]
  • 1-p-Carboxamidophenyl-3,3-dimethyltriazene
  • 4-(3,3-Dimethyl-1-triazenyl)benzamide
  • Benzamide, p-(3,3-dimethyl-1-triazeno)-
  • Benzamide, p-(3,3-dimethyl-1-triazenyl)-
  • BRN 1841908
  • CB 10286
  • NSC 86441
  • p-(3,3-Dimethyl-1-triazenyl)benzamide
  • p-(3,3-Dimethyltriazeno)benzamide

Systematic Names

  • Benzamide, 4-(3,3-dimethyl-1-triazenyl)- (9CI)
  • Benzamide, p-(3,3-dimethyltriazeno)-
  • CB 10286

Registry Numbers

CAS Registry Number

  • 33330-91-5

System Generated Number

  • 0033330915

Structure Descriptors

InChI

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

InChIKey

NRVPCDAKWQWYRU-UHFFFAOYSA-N

Smiles

NC(=O)c1ccc(\N=N/N(C)C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 356mg/kg (356mg/kg)   Cancer Treatment Reports. Vol. 62, Pg. 721, 1978.
rat LD50 oral 54mg/kg (54mg/kg)   Cesko-Slovenska Farmacie. Vol. 27, Pg. 384, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.2 (none)   EXP
Water Solubility 4530 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.