1-Butyl-5,5-Diethyl-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C12H20N2O3
IUPAC Name 1-butyl-5,5-diethyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 240.299 g·mol−1
Heat of Formation -707.4 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 304.71 Å 3
Surface Area 268.04 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1-butyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
  • 1-butyl-5,5-diethyl-barbituric acid
  • 1-butyl-5,5-diethylhexahydropyrimidine-2,4,6-trione
  • 1-n-butyl-5,5-diethylbarbituric acid
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 1-butyl-5,5-diethyl-
  • barbituric acid, 1-butyl-5,5-diethyl-
  • n-n-butylbarbital
CAS Number(s)
  • 15517-26-7
InChIKey RAMUEMRVQRRPDR-UHFFFAOYSA-N
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