(R)-(+)-Seconal

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Properties Simple | Detailed

Formula C12H18N2O3
IUPAC Name 5-allyl-5-[(1r)-1-methylbutyl]hexahydropyrimidine-2,4,6-trione
Molecular Mass 238.283 g·mol−1
Heat of Formation -592.8 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 294.85 Å 3
Surface Area 261.01 Å 2
HOMO Energy -10.44 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-secobarbital
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (r)- (9ci)
  • 5-[(2r)-pentan-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
  • 5-allyl-5-[(1r)-1-methylbutyl]barbituric acid
  • 5-allyl-5-[(1r)-1-methylbutyl]hexahydropyrimidine-2,4,6-trione
  • barbituric acid, 5-allyl-5-(1-methylbutyl)-, (r)-(+)-
  • r(+)-5-allyl-5-(1-methylbutyl)-barbituric acid
  • r(+)-secobarbital
CAS Number(s)
  • 22328-94-5
InChIKey KQPKPCNLIDLUMF-MRVPVSSYSA-N
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