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Substance Name: Diazenecarbonitrile, (4-methylphenyl)-, 2-oxide
RN: 54797-21-6
InChIKey: JDUNJHINICKBSP-KHPPLWFESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-N3-O

Molecular Weight

  • 161.163
 
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Names and Synonyms

Synonyms

  • BRN 5510130
  • p-Tolylazoxycyanide

Systematic Name

  • Diazenecarbonitrile, (4-methylphenyl)-, 2-oxide

Registry Numbers

CAS Registry Number

  • 54797-21-6

System Generated Number

  • 0054797216

Structure Descriptors

InChI

1S/C8H7N3O/c1-7-2-4-8(5-3-7)11(12)10-6-9/h2-5H,1H3/b11-10-

InChIKey

JDUNJHINICKBSP-KHPPLWFESA-N

Smiles

N(=N\C#N)(\c1ccc(C)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 250mg/kg (250mg/kg)   Journal of Antibiotics. Vol. 28, Pg. 87, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.39 (none)   EXP
Water Solubility 228 mg/L 25 EST
Vapor Pressure 2.81E-08 mm Hg 25 EST
Henry's Law Constant 2.27E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.22E-12 cm3/molecule-sec 25 EST

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