1,3-Dimethylbarbituric Acid

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Properties Simple | Detailed

Formula C6H8N2O3
IUPAC Name 1,3-dimethylhexahydropyrimidine-2,4,6-trione
Molecular Mass 156.139 g·mol−1
Heat of Formation -549.4 ± 16.7 kJ·mol−1
Dipole Moment 0.19 ± 1.08 D
Volume 173.19 Å 3
Surface Area 172.67 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-dimethyl-1,3-diazinane-2,4,6-trione
  • 1,3-dimethyl-2,4,6(1h,3h,5h)-pyrimidinetrione
  • 1,3-dimethylpyrimidine-2,4,6(1h,3h,5h)-trione
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 1,3-dimethyl-
  • ae-848/30739017
  • barbituric acid, 1,3-dimethyl-
  • n,n'-dimethylbarbituric acid
  • tos-bb-1003
CAS Number(s)
  • 213833-88-6
  • 41949-07-9
  • 769-42-6
InChIKey VVSASNKOFCZVES-UHFFFAOYSA-N
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