Dimethyl Phenobarbital

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Properties Simple | Detailed

Formula C14H16N2O3
IUPAC Name 5-ethyl-1,3-dimethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 260.288 g·mol−1
Heat of Formation -472.3 ± 16.7 kJ·mol−1
Dipole Moment 0.69 ± 1.08 D
Volume 307.87 Å 3
Surface Area 267.46 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dimethyl-5-ethyl-5-phenylbarbituric acid
  • 1,3-dimethylphenobarbital
  • 1,3-dimethylphenobarbitone
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 1,3-dimethyl-5-ethyl-5-phenyl- (9ci)
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-phenyl-
  • 5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione
  • 5-ethyl-1,3-dimethyl-5-phenyl-2,4,6(1h,3h,5h)-pyrimidinetrione
  • 5-ethyl-1,3-dimethyl-5-phenyl-barbituric acid
  • 5-ethyl-1,3-dimethyl-5-phenylhexahydropyrimidine-2,4,6-trione
  • barbituric acid, 1,3-dimethyl-5-ethyl-5-phenyl-
  • barbituric acid, 5-ethyl-1,3-dimethyl-5-phenyl-
  • dimethylphenobarbital
  • n,n'-dimethylphenobarbital
  • oprea1_389985
CAS Number(s)
  • 730-66-5
InChIKey RPJARFKGODFVHL-UHFFFAOYSA-N
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