4-{[6-(Cyclohexylmethoxy)-3H-Purin-2-Yl]Amino}Benzamide

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Properties Simple | Detailed

Formula C19H22N6O2
IUPAC Name 4-[[6-(cyclohexylmethoxy)purin-9-ium-7-id-2-yl]amino]benzamide
Molecular Mass 366.417 g·mol−1
Heat of Formation -46.0 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 431.39 Å 3
Surface Area 383.72 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(6-cyclohexylmethoxy-9h-purin-2-ylamino)--benzamide
  • n41
  • o6-cyclohexylmethylguanine deriv. 34
InChIKey RUUOIINPNMNPIU-UHFFFAOYSA-N
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