{1-Hydroxy-3-[Methyl(4-Phenylbutyl)Amino]-1,1-Propanediyl}Bis(Phosphonic Acid)

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Properties Simple | Detailed

Formula C14H25NO7P2
IUPAC Name [1-hydroxy-3-[methyl(4-phenylbutyl)amino]-1-phosphono-propyl]phosphonic acid
Molecular Mass 381.298 g·mol−1
Heat of Formation -1711.5 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 436.6 Å 3
Surface Area 352.92 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • [1-hydroxy-3-(methyl-(4-phenylbutyl)amino)-1-phosphono-propyl]phosphonic acid
  • [1-hydroxy-3-(methyl-(4-phenylbutyl)amino)-1-phosphonopropyl]phosphonic acid
  • n-[methyl(4-phenylbutyl)]-3-aminopropyl-1-hydroxy-1,1-bispho sphonate (disodium, hydrate)
CAS Number(s)
  • 129951-00-4
InChIKey VFLFYDXGZMGUAF-UHFFFAOYSA-N
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