7H-Purine-7-Propanenitrile, 2-Amino-1,6-Dihydro-6-Oxo-

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Properties Simple | Detailed

Formula C8H8N6O
IUPAC Name 3-(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,8,9-hexaid-7-yl)propanenitrile
Molecular Mass 204.189 g·mol−1
Heat of Formation 203.6 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 229.85 Å 3
Surface Area 222.02 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-amino-6-keto-3h-purin-7-yl)propionitrile
  • 3-(2-amino-6-oxo-3h-purin-7-yl)propanenitrile
  • 7-(2-cyanoethyl)guanine
CAS Number(s)
  • 100234-52-4
InChIKey OQYRRCAUSYFSCL-UHFFFAOYSA-N
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