5-Ethyl-5-(3-Oxobutyl)-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C10H14N2O4
IUPAC Name 5-ethyl-5-(3-oxobutyl)hexahydropyrimidine-2,4,6-trione
Molecular Mass 226.229 g·mol−1
Heat of Formation -805.5 ± 16.7 kJ·mol−1
Dipole Moment 1.27 ± 1.08 D
Volume 264.38 Å 3
Surface Area 241.17 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-ketobutobarbitone
  • 5-ethyl-5-(3-ketobutyl)barbituric acid
  • 5-ethyl-5-(3-oxobutyl)-1,3-diazinane-2,4,6-trione
  • 5-ethyl-5-(3-oxobutyl)-hexahydropyrimidin-2,4,6-trione
CAS Number(s)
  • 5579-49-7
InChIKey HSOYKAKLDCBODZ-UHFFFAOYSA-N
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