4-(2-Amino-1-Methyl-1H-Imidazo[4,5-B]Pyridin-6-Yl)Phenyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C13H12N4O4S
IUPAC Name [4-(2-amino-1-methyl-imidazo[4,5-b]pyridin-1-ium-6-yl)phenyl] hydrogen sulfate
Molecular Mass 320.324 g·mol−1
Heat of Formation -304.3 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 339.46 Å 3
Surface Area 313.17 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-amino-1-methylimidazo(4,5-b)pyrid-6-yl)phenyl sulfate
  • 4-phip sulfate
  • [4-(2-amino-1-methyl-6-imidazo[5,4-e]pyridinyl)phenyl] hydrogen sulfate
  • [4-(2-amino-1-methyl-imidazo[5,4-e]pyridin-6-yl)phenyl] hydrogen sulfate
  • phenol, 4-(2-amino-1-methyl-1h-imidazo(4,5-b)pyridin-6-yl)-, hydrogen sulfate (ester)
CAS Number(s)
  • 122664-96-4
InChIKey SSEWDBILXMYUPG-UHFFFAOYSA-N
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