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

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Properties Simple | Detailed

Formula C11H18N2O4
IUPAC Name 5-ethyl-5-(3-hydroxy-3-methyl-butyl)hexahydropyrimidine-2,4,6-trione
Molecular Mass 242.272 g·mol−1
Heat of Formation -885.7 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 294.67 Å 3
Surface Area 258.1 Å 2
HOMO Energy -10.68 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-hydroxyamobarbital
  • 5-aethyl-5-(3-hydroxyisoamyl)barbitursaeure
  • 5-ethyl-5-(3-hydroxy-3-methyl-butyl)-1,3-diazinane-2,4,6-trione
  • 5-ethyl-5-(3-hydroxy-3-methyl-butyl)barbituric acid
  • 5-ethyl-5-(3-hydroxy-3-methylbutyl)-1,3-diazinane-2,4,6-trione
  • 5-ethyl-5-(3-hydroxy-3-methylbutyl)hexahydropyrimidine-2,4,6-trione
  • 5-ethyl-5-(3-hydroxyisopentyl)barbituric acid
  • barbituric acid, 5-ethyl-5-(3-hydroxyisopentyl)-
CAS Number(s)
  • 1421-07-4
InChIKey PUVZPWLDMBLALZ-UHFFFAOYSA-N
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