3-Methylguanine

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Properties Simple | Detailed

Formula C6H7N5O
IUPAC Name 2-amino-3-methyl-7,8-dihydropurine-1,2,4,5,8,9-hexaid-6-one
Molecular Mass 165.153 g·mol−1
Heat of Formation 97.5 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 180.08 Å 3
Surface Area 179.48 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-3,7-dihydro-3-methyl-6h-purin-6-one
  • 2-amino-3-methyl-3,7-dihydro-6h-purin-6-one
  • 2-amino-3-methyl-3,9-dihydro-6h-purin-6-one
  • 2-amino-3-methyl-7h-purin-6-one
  • 2-imino-3-methyl-1,2,3,9-tetrahydro-6h-purin-6-one
  • 6h-purin-6-one, 2-amino-3,7-dihydro-3-methyl-
  • 6h-purin-6-one, 2-amino-3,7-dihydro-3-methyl- (9ci)
  • guanine, 3-methyl-
  • guanine, 3-methyl- (van) (8ci)
  • n(3)-methylguanine
  • n3-methylguanine
CAS Number(s)
  • 2958-98-7
InChIKey XHBSBNYEHDQRCP-UHFFFAOYSA-N
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