1,4,7-Triazacyclononane-N,N',N''-tris(methylenephosphonate monoethyl ester)
[CAS# 133587-14-1]

Identification

• Name: 1,4,7-Triazacyclononane-N,N',N''-tris(methylenephosphonate monoethyl ester)
• Synonyms: [4,7-Bis[(Ethoxy-Hydroxy-Phosphoryl)Methyl]-1,4,7-Triazonan-1-Yl]Methyl-Ethoxy-Phosphinic Acid; 1,4,7-Triazacyclononane-N,N',N''-Tris(Methylenephosphonate Monoethyl Ester); Notpme
• Molecular Formula: C₁₅H₃₆N₃O₉P₃
• Molecular Weight: 495.39
• CAS Registry Number: 133587-14-1
• SMILES: C([P](OCC)(=O)O)N1CCN(C[P](OCC)(=O)O)CCN(C[P](OCC)(=O)O)CC1
• InChI: 1S/C15H36N3O9P3/c1-4-25-28(19,20)13-16-7-9-17(14-29(21,22)26-5-2)11-12-18(10-8-16)15-30(23,24)27-6-3/h4-15H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)
• InChIKey: HCBDSERWVIIISK-UHFFFAOYSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 636.646°C at 760 mmHg (Cal.)
• Flash point: 338.831°C (Cal.)