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

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Properties Simple | Detailed

Formula C25H15N5
IUPAC Name 7-benzo[b]pyren-6-ylpurin-7-ium-6-amine
Molecular Mass 385.420 g·mol−1
Heat of Formation 666.4 ± 16.7 kJ·mol−1
Dipole Moment 10.14 ± 1.08 D
Volume 429.73 Å 3
Surface Area 358.15 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • (7-benzo[b]pyren-6-ylpurin-6-yl)amine
  • 7-(6-benzo[b]pyrenyl)-6-purinamine
  • 7-benzo[b]pyren-6-ylpurin-6-amine
CAS Number(s)
  • 139428-50-5
InChIKey INOYRHNOOQSMLK-UHFFFAOYSA-N
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Elements H C N