N-Methylguanine

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Properties Simple | Detailed

Formula C6H14N5O+
IUPAC Name 2-(methylamino)-7,8-dihydro-3h-purine-1,2,4,5,8,9-hexaid-6-one
Molecular Mass 172.208 g·mol−1
Heat of Formation 99.6 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 180.73 Å 3
Surface Area 183.33 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
Synonyms
  • 1,7-dihydro-2-(methylamino)-6h-purin-6-one
  • 2-methylamino-1,9-dihydro-purin-6-one
  • 2-methylamino-3,7-dihydropurin-6-one
  • 2-methylamino-6-oxopurine
  • 2-methylguanine
  • 2-monomethylamino-6-hydroxypurine
  • 6-hydroxy-2-methylaminopurine
  • 6h-purin-6-one, 1,7-dihydro-2-(methylamino)-
  • 6h-purin-6-one, 1,7-dihydro-2-(methylamino)- (9ci)
  • guanine, n-methyl-
  • guanine, n-methyl- (van)
  • n2-methylguanine
  • purine, 6-hydroxy-2-methylamino-
CAS Number(s)
  • 10030-78-1
InChIKey SGSSKEDGVONRGC-UHFFFAOYSA-N
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