2-(Phenylamino)-1H-Purin-6-Ol

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Properties Simple | Detailed

Formula C11H9N5O
IUPAC Name 2-anilino-3,7-dihydropurin-6-one
Molecular Mass 227.222 g·mol−1
Heat of Formation 231.3 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 252.49 Å 3
Surface Area 242.83 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1,7-dihydro-2-(phenylamino)-6h-purin-6-one
  • 2-(phenylamino)-3,7-dihydropurin-6-one
  • 6h-purin-6-one, 1,7-dihydro-2-(phenylamino)-
  • 6h-purin-6-one, 1,9-dihydro-2-(phenylamino)-
  • n(2)-phenylguanine
CAS Number(s)
  • 40769-49-1
InChIKey JDCULXHGRMPCAM-UHFFFAOYSA-N
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