Triethyl [1,4,7-Triazonane-1,4,7-Triyltris(Methylene)]Tris[Hydrogen (Phosphonate)]

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Properties Simple | Detailed

Formula C15H36N3O9P3
IUPAC Name [4,7-bis[[ethoxy(hydroxy)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-ethoxy-phosphinic acid
Molecular Mass 495.382 g·mol−1
Heat of Formation -2323.0 ± 16.7 kJ·mol−1
Dipole Moment 1.42 ± 1.08 D
Volume 570.77 Å 3
Surface Area 450.38 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4,7-triazacyclononane-n,n',n''-tris(methylenephosphonate monoethyl ester)
  • [4,7-bis[(ethoxy-hydroxy-phosphoryl)methyl]-1,4,7-triazonan-1-yl]methyl-ethoxy-phosphinic acid
  • [4,7-bis[(ethoxy-hydroxyphosphoryl)methyl]-1,4,7-triazonan-1-yl]methyl-ethoxyphosphinic acid
  • notpme
  • phosphonic acid, ((hexahydro-1h-1,4,7-triazonine-1,4,7-triyl)tris(methylene))tris-, p,p',p''-triethyl ester
CAS Number(s)
  • 133587-14-1
InChIKey HCBDSERWVIIISK-UHFFFAOYSA-N
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