5-[3-(Benzyloxy)Benzyl]-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C18H16N2O4
IUPAC Name 5-[(3-benzyloxyphenyl)methyl]hexahydropyrimidine-2,4,6-trione
Molecular Mass 324.331 g·mol−1
Heat of Formation -521.0 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 379.85 Å 3
Surface Area 324.51 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(3-(benzyloxy)benzyl)-2,4,6(1h,3h,5h)-pyrimidinetrione
  • 5-(3-benzyloxybenzyl)barbituric acid
  • 5-(m-benzyloxy)benzylbarbituric acid
  • 5-[3-(benzyloxy)benzyl]barbituric acid
  • 5-[[3-(phenylmethoxy)phenyl]methyl]-1,3-diazinane-2,4,6-trione
  • 5-[[3-(phenylmethoxy)phenyl]methyl]hexahydropyrimidine-2,4,6-trione
  • 5-benzyloxybenzylbarbituric acid
CAS Number(s)
  • 138660-08-9
InChIKey LHGZUAAZPCYFIW-UHFFFAOYSA-N
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