(5-Hydroxy-6-Methyl-4-{[(2,2,2-Trifluoroethyl)Amino]Methyl}-3-Pyridinyl)Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C10H14F3N2O5P
IUPAC Name [5-hydroxy-6-methyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridyl]methyl dihydrogen phosphate
Molecular Mass 330.198 g·mol−1
Heat of Formation -1800.0 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 341.59 Å 3
Surface Area 300.3 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 3-pyridinemethanol, 5-hydroxy-6-methyl-4-(((2,2,2-trifluoroethyl)amino)methyl)-, alpha-(dihydrogen phosphate)
  • [5-hydroxy-6-methyl-4-[(2,2,2-trifluoroethylamino)methyl]pyridin-3-yl]methyl dihydrogen phosphate
  • phosphorpyridoxyltrifluoroethylamine
CAS Number(s)
  • 59087-16-0
InChIKey UYWNWALJDANYTG-UHFFFAOYSA-N
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Elements C F H O N P