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

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Properties Simple | Detailed

Formula C10H16N2O4
IUPAC Name 5-ethyl-5-(4-hydroxybutyl)hexahydropyrimidine-2,4,6-trione
Molecular Mass 228.245 g·mol−1
Heat of Formation -838.3 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 271.96 Å 3
Surface Area 249.28 Å 2
HOMO Energy -10.71 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-ethyl-5-(4-hydroxybutyl)-
  • 4'-hydroxybutobarbitone
  • 5-ethyl-5-(4-hydroxybutyl)-1,3-diazinane-2,4,6-trione
  • 5-ethyl-5-(4-hydroxybutyl)barbituric acid
CAS Number(s)
  • 82168-60-3
InChIKey YTGNOIAJHDHZQX-UHFFFAOYSA-N
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