2-Amino-9-Phenyl-1,9-Dihydro-6H-Purin-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C11H9N5O
IUPAC Name 2-amino-9-phenyl-3,8-dihydropurine-1,2,4,5,7,8-hexaid-6-one
Molecular Mass 227.222 g·mol−1
Heat of Formation 252.1 ± 16.7 kJ·mol−1
Dipole Moment 11.61 ± 1.08 D
Volume 250.83 Å 3
Surface Area 237.91 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-phenyl-3h-purin-6-one
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-phenyl-
  • 9-phenylguanine
CAS Number(s)
  • 14443-33-5
InChIKey XOVSLVYAFGLDMS-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N