N~6~-Cyclohexyl-N~2~-[2-Methyl-4-(4-Morpholinyl)Phenyl]-3H-Purine-2,6-Diamine

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Properties Simple | Detailed

Formula C22H29N7O
IUPAC Name n6-cyclohexyl-n2-(2-methyl-4-morpholino-phenyl)purin-7-ium-6-ylium-2,6-diamine
Molecular Mass 407.512 g·mol−1
Heat of Formation 164.8 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 501.26 Å 3
Surface Area 416.49 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
InChIKey OVJBNYKNHXJGSA-UHFFFAOYSA-N
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