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

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Properties Simple | Detailed

Formula C13H23NO8P2
IUPAC Name [1-hydroxy-3-[methyl(3-phenoxypropyl)amino]-1-phosphono-propyl]phosphonic acid
Molecular Mass 383.271 g·mol−1
Heat of Formation -1852.2 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 420.42 Å 3
Surface Area 328.31 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • [1-hydroxy-3-[methyl-[3-(phenoxy)propyl]amino]-1-phosphono-propyl]phosphonic acid
  • [1-hydroxy-3-[methyl-[3-(phenoxy)propyl]amino]-1-phosphonopropyl]phosphonic acid
  • cgp-47072
CAS Number(s)
  • 158859-42-8
InChIKey ASMGFLAYDQSOPU-UHFFFAOYSA-N
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