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Substance Name: Acetamide, N-(4-((dicyanomethylene)hydrazino)phenyl)-
RN: 55121-29-4
InChIKey: WPHFIWGLTMYDAM-FOCLMDBBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H9-N5-O

Molecular Weight

  • 227.226
 
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Names and Synonyms

Synonyms

  • 4-15-00-01406 (Beilstein Handbook Reference)
  • BRN 1821664
  • N-(4-((Dicyanomethylene)hydrazino)phenyl)acetamide

Systematic Name

  • Acetamide, N-(4-((dicyanomethylene)hydrazino)phenyl)-

Registry Numbers

CAS Registry Number

  • 55121-29-4

System Generated Number

  • 0055121294

Structure Descriptors

InChI

1S/C11H9N5O/c1-8(17)14-9-2-4-10(5-3-9)15-16-11(6-12)7-13/h2-5,11H,1H3,(H,14,17)/b16-15+

InChIKey

WPHFIWGLTMYDAM-FOCLMDBBSA-N

Smiles

c1cc(NC(=O)C)ccc1\N=N\C(C#N)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD subcutaneous > 50mg/kg (50mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 361, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.83 (none)   EXP
Water Solubility 173 mg/L 25 EST
Vapor Pressure 7.24E-09 mm Hg 25 EST
Henry's Law Constant 1.15E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.24E-11 cm3/molecule-sec 25 EST

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