Barbituric Acid, 5-Butyl-5-Ethyl-1,3-Dimethyl-

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Properties Simple | Detailed

Formula C12H20N2O3
IUPAC Name 5-butyl-5-ethyl-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 240.299 g·mol−1
Heat of Formation -678.7 ± 16.7 kJ·mol−1
Dipole Moment 0.70 ± 1.08 D
Volume 303.0 Å 3
Surface Area 268.52 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dimethylbutylethyl barbituric acid
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-butyl-3-ethyl-1,3-dimethyl-
  • 5-butyl-1,3-dimethyl-5-ethylbarbituric acid
  • 5-butyl-5-ethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
  • 5-butyl-5-ethyl-1,3-dimethyl-barbituric acid
  • 5-butyl-5-ethyl-1,3-dimethylhexahydropyrimidine-2,4,6-trione
  • barbituric acid, 5-butyl-1,3-dimethyl-5-ethyl-
  • dimethylneonal
CAS Number(s)
  • 28239-45-4
InChIKey ZSCDMQNUQCZYHQ-UHFFFAOYSA-N
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