5-(4-Aminobutyl)-5-Phenyl-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C14H17N3O3
IUPAC Name 5-(4-aminobutyl)-5-phenyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 275.303 g·mol−1
Heat of Formation -469.2 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 325.68 Å 3
Surface Area 290.41 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-(4-aminobutyl)-5-phenyl-
  • 5-(4-aminobutyl)-5-phenyl-1,3-diazinane-2,4,6-trione
  • 5-(4-aminobutyl)-5-phenyl-barbituric acid
  • 5-(4-aminobutyl)-5-phenylhexahydropyrimidine-2,4,6-trione
  • 5-phenyl-5-(4-aminobutyl)barbituric acid
CAS Number(s)
  • 79181-97-8
InChIKey CFNACRZGWROSLW-UHFFFAOYSA-N
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