N1-Methyladenine

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Properties Simple | Detailed

Formula C6H8N5+
IUPAC Name 1-methylpurin-1-ium-6-ylium-6-amine
Molecular Mass 150.161 g·mol−1
Heat of Formation 365.7 ± 16.7 kJ·mol−1
Dipole Moment 10.93 ± 1.08 D
Volume 170.76 Å 3
Surface Area 171.03 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry Cs
Synonyms
  • (1-methylpurin-6-yl)amine
  • 1-methyl-1,9-dihydro-6h-purin-6-imine
  • 1-methyl-1h-purin-6-amine
  • 1-methyl-1h-purin-6-ylamine
  • 1-methyl-6-purinamine
  • 1-methyladenine
  • 1-methylpurin-6-amine
  • 1h-purin-6-amine, 1-methyl-
  • 1h-purin-6-amine, 1-methyl- (9ci)
  • 6h-purin-6-imine, 1, 9-dihydro-1-methyl-
  • 6h-purin-6-imine, 1,9-dihydro-1-methyl-
  • adenine, 1-methyl-
CAS Number(s)
  • 5142-22-3
InChIKey HPZMWTNATZPBIH-UHFFFAOYSA-N
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Elements H C N