Methylcytosine

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Properties Simple | Detailed

Formula C5H7N3O
IUPAC Name 4-amino-1-methyl-pyrimidin-3-ium-2-one
Molecular Mass 125.129 g·mol−1
Heat of Formation -76.3 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 145.78 Å 3
Surface Area 153.53 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methylcytosine
  • 1mc
  • 2(1h)-pyrimidinone, 4-amino-1-methyl-
  • 2(1h)-pyrimidinone,4-amino-1-methyl-
  • 4-amino-1-methyl-2-pyrimidinone
  • 4-amino-1-methyl-pyrimidin-2-one
  • 4-amino-1-methylpyrimidin-2-one
  • 4-amino-2-hydroxy-1-methylpyrimidine
  • n-methylcytosine
CAS Number(s)
  • 1122-47-0
InChIKey HWPZZUQOWRWFDB-UHFFFAOYSA-N
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