Purine

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Properties Simple | Detailed

Formula C5H4N4
IUPAC Name purin-9-ium-4-ylium
Molecular Mass 120.112 g·mol−1
Heat of Formation 303.2 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 132.54 Å 3
Surface Area 140.67 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry Cs
Synonyms
  • .beta.-purine
  • 1h-purine
  • 1h-purine (9ci)
  • 3,5,7-triazaindole
  • 3h-purine
  • 6h-imidazo(4,5-d)pyrimidine
  • 6h-imidazo[4,5-d]pyrimidine
  • 7h-imidazo(4,5-d)pyrimidine
  • 7h-imidazo[4,5-d]pyrimidine
  • 7h-purine
  • 9h-purine
  • 9h-purine (van)
  • ac-907/25014050
  • beta-purine
  • imidazo(4,5-d)pyrimidine
  • imidazo[4,5-d]pyrimidine
  • isopurine
  • purine-ring
  • x 128
CAS Number(s)
  • 120-73-0
InChIKey KDCGOANMDULRCW-UHFFFAOYSA-N
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Elements H C N