2-[(5-Chrysenylmethyl)Amino]-3,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C24H24N5O+
IUPAC Name 2-(chrysen-5-ylmethylamino)-7,8-dihydro-3h-purine-1,2,4,5,8,9-hexaid-6-one
Molecular Mass 398.480 g·mol−1
Heat of Formation 428.9 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 443.08 Å 3
Surface Area 388.64 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(5-chrysenylmethylamino)-3,7-dihydropurin-6-one
  • 2-(chrysen-5-ylmethylamino)-3,7-dihydropurin-6-one
  • 6h-purin-6-one, 2-((5-chrysenylmethyl)amino)-1,7-dihydro-
  • n(2)-((chrysen-5-yl)methyl)guanine
  • n2-cymg
CAS Number(s)
  • 117606-17-4
InChIKey XINSXRDSIDZSGC-UHFFFAOYSA-N
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