6-(Cyclohexylmethoxy)-8-(Trifluoromethyl)-3H-Purin-2-Amine

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Properties Simple | Detailed

Formula C13H16F3N5O
IUPAC Name 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9h-purine-1,3,7-triium-2-amine
Molecular Mass 315.294 g·mol−1
Heat of Formation -624.4 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 340.83 Å 3
Surface Area 317.57 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
InChIKey DMTNMDIKSMRUDA-UHFFFAOYSA-O
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