6-(Cyclohexylamino)-9-[2-(4-Methyl-1-Piperazinyl)Ethyl]-9H-Purine-2-Carbonitrile

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Properties Simple | Detailed

Formula C19H28N8
IUPAC Name 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)ethyl]-8h-purin-9-ium-8-ylium-2-carbonitrile
Molecular Mass 368.479 g·mol−1
Heat of Formation 386.6 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 462.21 Å 3
Surface Area 413.52 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(cyclohexylamino)-9-[2-(4-methyl-1-piperazinyl)ethyl]-2-purinecarbonitrile
  • 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9h-purine-2-carbonitrile
  • ihe
  • nvp-abe854
InChIKey OGODDSLNRULSMM-UHFFFAOYSA-N
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Elements H C N