3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-1-(2-Hydroxyethyl)-2-Methyl-5-Nitro-1H-Imidazol-3-Ium

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Properties Simple | Detailed

Formula C12H17N6O3+
IUPAC Name 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methyl-5-nitroimidazol-3-ium-1-yl]ethanol
Molecular Mass 293.302 g·mol−1
Heat of Formation 1998.0 ± 16.7 kJ·mol−1
Dipole Moment 9.45 ± 1.08 D
Volume 312.31 Å 3
Surface Area 299.21 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -2.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-4-nitro-1h-imidazolium
  • 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-4-nitroimidazolium
  • 1-amhn
  • 1h-imidazolium, 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-4-nitro-
  • 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-methyl-5-nitro-1-imidazol-3-iumyl]ethanol
  • 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-5-nitro-imidazol-3-ium-1-yl]ethanol
  • 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methyl-5-nitroimidazol-3-ium-1-yl]ethanol
CAS Number(s)
  • 111607-65-9
InChIKey OFTZXSNXKYDMIL-UHFFFAOYSA-N
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