Butalbital

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Properties Simple | Detailed

Formula C11H16N2O3
IUPAC Name 5-allyl-5-isobutyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 224.256 g·mol−1
Heat of Formation -572.1 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 273.99 Å 3
Surface Area 235.71 Å 2
HOMO Energy -10.57 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propenyl)-
  • 5-(2-methylpropyl)-5-prop-2-en-1-ylpyrimidine-2,4,6(1h,3h,5h)-trione
  • 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
  • 5-allyl-5-(2'-methyl-n-propyl) barbituric acid
  • 5-allyl-5-isobutyl-barbituric acid
  • 5-allyl-5-isobutylbarbituric acid
  • 5-allyl-5-isobutylhexahydropyrimidine-2,4,6-trione
  • alisobumal
  • alisobumalum
  • allylbarbital
  • allylbarbitone
  • allylisobutylbarbital
  • allylisobutylbarbiturate
  • barbituric acid, 5-allyl-5-isobutyl-
  • butalbarbital
  • butalbital (usp)
  • butalbitale [dcit]
  • d03182
  • iso-butylallylbarbituric acid
  • itobarbital
  • profundal
  • sandoptal
  • tetrallobarbital
CAS Number(s)
  • 77-26-9
InChIKey UZVHFVZFNXBMQJ-UHFFFAOYSA-N
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