9-{[(1,3-Diisopropoxy-2-Propanyl)Oxy]Methyl}-9H-Purin-2-Amine

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Properties Simple | Detailed

Formula C15H25N5O3
IUPAC Name 9-[[2-isopropoxy-1-(isopropoxymethyl)ethoxy]methyl]purin-9-ium-2-amine
Molecular Mass 323.391 g·mol−1
Heat of Formation -363.5 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 402.66 Å 3
Surface Area 322.93 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-((2-isopropoxy-1-(isopropoxymethyl)ethoxy)methyl)purine
  • 9-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]purin-2-amine
  • 9-[[2-isopropoxy-1-(isopropoxymethyl)ethoxy]methyl]-2-purinamine
  • 9-[[2-isopropoxy-1-(isopropoxymethyl)ethoxy]methyl]purin-2-amine
  • [9-[[2-isopropoxy-1-(isopropoxymethyl)ethoxy]methyl]purin-2-yl]amine
  • hoe 602
  • rociclovir
CAS Number(s)
  • 108436-80-2
InChIKey FBHWXSOQXQBXER-UHFFFAOYSA-N
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