2-Amino-9-(4-Butylphenyl)-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C15H17N5O
IUPAC Name 2-amino-9-(4-butylphenyl)-3h-purin-6-one
Molecular Mass 283.328 g·mol−1
Heat of Formation 146.2 ± 16.7 kJ·mol−1
Dipole Moment 12.55 ± 1.08 D
Volume 338.5 Å 3
Surface Area 314.93 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-(4-butylphenyl)-3h-purin-6-one
  • 4-butylphenylguanine
  • 6h-purin-6-one, 2-amino-9-(4-butylphenyl)-1,9-dihydro-
CAS Number(s)
  • 21318-90-1
InChIKey AAMKCWPTVSJLCN-UHFFFAOYSA-N
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