N-Methylbarbituric Acid

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Properties Simple | Detailed

Formula C5H6N2O3
IUPAC Name 1-methylhexahydropyrimidine-2,4,6-trione
Molecular Mass 142.113 g·mol−1
Heat of Formation -549.1 ± 16.7 kJ·mol−1
Dipole Moment 0.82 ± 1.08 D
Volume 152.95 Å 3
Surface Area 156.7 Å 2
HOMO Energy -10.75 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methyl barbituric acid
  • 1-methyl-1,3-diazinane-2,4,6-trione
  • 1-methylbarbituric acid
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 1-methyl-
  • ms-1844
CAS Number(s)
  • 2565-47-1
InChIKey DCGGMHIZEAHUJL-UHFFFAOYSA-N
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