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Substance Name: Pyrimethanil [ISO]
RN: 53112-28-0
UNII: 6IA5HP6C8Z
InChIKey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N

Molecular Formula

  • C12-H13-N3

Molecular Weight

  • 199.256
 
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Names and Synonyms

Results Name

  • Pyrimethanil [ISO]

Name of Substance

  • Pyrimethanil
  • Pyrimethanil [ISO]

Synonyms

  • HSDB 6916
  • Pyrimethanil
  • UNII-6IA5HP6C8Z

Systematic Name

  • 2-Pyrimidinamine, 4,6-dimethyl-N-phenyl-

Registry Numbers

CAS Registry Number

  • 53112-28-0

FDA UNII

  • 6IA5HP6C8Z

System Generated Number

  • 0053112280

Structure Descriptors

InChI

1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)

InChIKey

ZLIBICFPKPWGIZ-UHFFFAOYSA-N

Smiles

c1ccccc1Nc1nc(C)cc(C)n1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 96.3 deg C   EXP
pKa Dissociation Constant 3.52 (none) 20 EXP
log P (octanol-water) 2.84 (none)   EXP
Water Solubility 121 mg/L 25 EXP
Vapor Pressure 1.65E-05 mm Hg 25 EXP
Henry's Law Constant 3.58E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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