(5-Allyl-5-Bromoallyl)Barbituric Acid

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Properties Simple | Detailed

Formula C10H11BrN2O3
IUPAC Name 5-allyl-5-(2-bromoallyl)hexahydropyrimidine-2,4,6-trione
Molecular Mass 287.110 g·mol−1
Heat of Formation -419.9 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 277.52 Å 3
Surface Area 241.02 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(2-propenyl)-
  • 5-allyl-5-(2-bromoallyl)barbituric acid
  • 5-allyl-5-(2-bromoallyl)barbitursaeure
  • 5-allyl-5-(2-bromoprop-2-enyl)barbituric acid
  • 5-allyl-5-(2-bromoprop-2-enyl)hexahydropyrimidine-2,4,6-trione
  • brallobarbital
  • brallobarbitale [dcit]
CAS Number(s)
  • 561-86-4
InChIKey DYODAJAEQDVYFX-UHFFFAOYSA-N
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