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

Molecule SVG Image

Properties Simple | Detailed

Formula C18H21N5O2
IUPAC Name 4-[[6-(cyclohexylmethoxy)purin-9-ium-7-id-2-yl]amino]phenol
Molecular Mass 339.392 g·mol−1
Heat of Formation -47.3 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 402.27 Å 3
Surface Area 357.65 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
Synonyms
  • 6-cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine
  • n20
  • o6-cyclohexylmethylguanine deriv. 25
InChIKey RFSDQDHHBKYQOD-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N