7-(Benzo(A)Pyren-6-Yl)Guanine

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Properties Simple | Detailed

Formula C25H22N5O+
IUPAC Name 2-amino-7-benzo[b]pyren-6-yl-3,8-dihydropurine-1,2,4,5,8,9-hexaid-6-one
Molecular Mass 408.475 g·mol−1
Heat of Formation 477.9 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 440.99 Å 3
Surface Area 371.21 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-7-(6-benzo[b]pyrenyl)-3h-purin-6-one
  • 2-amino-7-benzo[b]pyren-6-yl-3h-purin-6-one
CAS Number(s)
  • 114378-32-4
InChIKey VDYQBPUYFKNVTH-UHFFFAOYSA-N
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