2-Amino-7-{2-[(2-Hydroxyethyl)Amino]Ethyl}-3,7-Dihydro-6H-Purin-6-One

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Formula C9H14N6O2
IUPAC Name 2-amino-7-[2-(2-hydroxyethylamino)ethyl]-3,8-dihydropurine-1,2,4,5,8,9-hexaid-6-one
Molecular Mass 238.246 g·mol−1
Heat of Formation -88.6 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 276.36 Å 3
Surface Area 264.27 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-7-[2-(2-hydroxyethylamino)ethyl]-3h-purin-6-one
  • 2-hegea
  • 6h-purin-6-one, 2-amino-1,7-dihydro-7-(2-((2-hydroxyethyl)amino)ethyl)-
  • n-(2-hydroxyethyl)-n-(2-(7-guaninyl)ethyl)amine
CAS Number(s)
  • 98627-74-8
InChIKey WFOFYAHZXSXGPD-UHFFFAOYSA-N
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