Diazinon Metabolite

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Properties Simple | Detailed

Formula C8H13N2O2+
IUPAC Name 2-(1-hydroxy-1-methyl-ethyl)-6-methyl-5h-pyrimidin-1-ium-5-id-4-one
Molecular Mass 169.201 g·mol−1
Heat of Formation -337.5 ± 16.7 kJ·mol−1
Dipole Moment 7.09 ± 1.08 D
Volume 207.62 Å 3
Surface Area 202.84 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1'-hydroxy-1'-methyl)-ethyl-4-methyl-6-hydroxypyrimidine
  • 2-(1-hydroxy-1-methyl-ethyl)-6-methyl-1h-pyrimidin-4-one
  • 2-(1-hydroxy-1-methylethyl)-6-methyl-1h-pyrimidin-4-one
  • 2-(1-hydroxy-1-methylethyl)-6-methyl-4(1h)-pyrimidinone
  • 2-(2-hydroxypropan-2-yl)-6-methyl-1h-pyrimidin-4-one
  • 4(1h)-pyrimidinone, 2-(1-hydroxy-1-methylethyl)-6-methyl-
  • gs 31144
CAS Number(s)
  • 28175-97-5
InChIKey YJVZSRAHZKCRKI-UHFFFAOYSA-N
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