Diethyl [(4-Benzyl-1-Piperazinyl)Methyl]Phosphonate

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Properties Simple | Detailed

Formula C16H27N2O3P
IUPAC Name 1-benzyl-4-(diethoxyphosphorylmethyl)piperazine
Molecular Mass 326.371 g·mol−1
Heat of Formation -612.8 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 412.51 Å 3
Surface Area 358.89 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(benzyl)-4-(diethoxyphosphorylmethyl)piperazine
  • 1-(diethoxyphosphorylmethyl)-4-(phenylmethyl)piperazine
  • dbpmp
  • diethyl benzylpiperazinomethylphosphonate
  • o,o-diethyl (benzylpiperazinomethyl)phosphonate
  • phosphonic acid, [[4-(phenylmethyl)-1-piperazinyl]methyl]-, diethyl ester
CAS Number(s)
  • 157524-19-1
InChIKey CPQDHKDKVMESSV-UHFFFAOYSA-N
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