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

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Properties Simple | Detailed

Formula C12H22N3O5P
IUPAC Name [4-[(4-aminobutylamino)methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate
Molecular Mass 319.294 g·mol−1
Heat of Formation -1144.7 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 371.79 Å 3
Surface Area 349.23 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(4-aminobutylamino)methyl]-5-hydroxy-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate
  • [4-[(4-aminobutylamino)methyl]-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
  • plp-put
InChIKey MXDZELCJRJAUEI-UHFFFAOYSA-N
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