Dodecaammonium [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10lambda⁵-phosphadec-1-yl]phosphonate
[CAS# 93920-43-5]

Identification

• Name: Dodecaammonium [2-{2-[bis(phosphonatomethyl)amino]ethyl}-10,10,10-trioxido-5,8-bis(phosphonatomethyl)-2,5,8-triaza-10lambda⁵-phosphadec-1-yl]phosphonate
• Synonyms: dodecaammonium [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate
• Molecular Formula: C₁₂H₇₂N₁₆O₁₈P₆
• Molecular Weight: 914.64
• CAS Registry Number: 93920-43-5
• EINECS: 300-130-0
• SMILES: [NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P([O-])(=O)CN(CP(=O)([O-])[O-])CCN(CCN(CCN(CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O
• InChI: 1S/C12H36N4O18P6.12H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);12*1H3
• InChIKey: YRCQNWPSUNAGBU-UHFFFAOYSA-N

Properties

• Boiling point: 1363.4°C at 760 mmHg (Cal.)
• Flash point: 778.4°C (Cal.)