1-Methyl-1,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C6H6N4O
IUPAC Name 1-methyl-7h-purin-6-one
Molecular Mass 150.138 g·mol−1
Heat of Formation 80.8 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 165.19 Å 3
Surface Area 167.48 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-1,9-dihydro-purin-6-one
  • 1-methyl-7h-purin-6-one
  • 1-methylhypoxanthine
  • 2-(methylthio)quinazolin-4(3h)-one
  • 4(3h)-quinazolinone, 2-(methylthio)-
  • 6h-purin-6-one, 1,7-dihydro-1-methyl-
  • 6h-purin-6-one, 1,7-dihydro-1-methyl- (9ci)
  • bas 13121310
  • hypoxanthine, 1-methyl-
  • hypoxanthine, 1-methyl- (8ci)
CAS Number(s)
  • 1125-39-9
InChIKey KIQMCGMHGVXDFW-UHFFFAOYSA-N
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