N-[2-(1H-Imidazol-4-Yl)Ethyl]-1H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H11N7
IUPAC Name n-(2-imidazol-4-ylethyl)purin-7-ium-6-amine
Molecular Mass 229.241 g·mol−1
Heat of Formation 428.8 ± 16.7 kJ·mol−1
Dipole Moment 8.03 ± 1.08 D
Volume 266.21 Å 3
Surface Area 250.58 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purin-6-amine, n-(2-(1h-imidazol-4-yl)ethyl)- (9ci)
  • 1h-purin-6-amine, n-[2-(1h-imidazol-4-yl)ethyl]-
  • 2-(3h-imidazol-4-yl)ethyl-(7h-purin-6-yl)amine
  • n-(2-(1h-imidazol-4-yl)ethyl)-1h-adenine
  • n-(2-(1h-imidazol-4-yl)ethyl)-9h-purin-6-amine
  • n-[2-(3h-imidazol-4-yl)ethyl]-7h-purin-6-amine
  • purinyl-6-histamine
CAS Number(s)
  • 1669-86-9
InChIKey SOTQBOWAIHEECH-UHFFFAOYSA-N
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Elements H C N