O,O-Diethyl (4-(4-Benzylpiperazinomethyl)Benzyl)Phosphonate

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Properties Simple | Detailed

Formula C23H33N2O3P
IUPAC Name 1-benzyl-4-[[4-(diethoxyphosphorylmethyl)phenyl]methyl]piperazine
Molecular Mass 416.493 g·mol−1
Heat of Formation -605.4 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 527.43 Å 3
Surface Area 437.16 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(benzyl)-4-[4-(diethoxyphosphorylmethyl)benzyl]piperazine
  • 1-[[4-(diethoxyphosphorylmethyl)phenyl]methyl]-4-(phenylmethyl)piperazine
  • dbpmbp
  • diethyl benzylpiperazinomethylbenzylphosphonate
CAS Number(s)
  • 157524-21-5
InChIKey UYHITTYDLWDQLB-UHFFFAOYSA-N
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