P,P'-[1,2-ethanediylbis[[[2-[bis(phosphonatomethyl)amino]ethyl]imino]methylene]]bis-Phosphonate ammonium salt (1:7)
[CAS# 94023-08-2]

Identification

• Name: P,P'-[1,2-ethanediylbis[[[2-[bis(phosphonatomethyl)amino]ethyl]imino]methylene]]bis-Phosphonate ammonium salt (1:7)
• Synonyms: heptaammonium pentahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate
• Molecular Formula: C₁₂H₅₂N₁₁O₁₈P₆
• Molecular Weight: 824.45
• CAS Registry Number: 94023-08-2
• EINECS: 301-603-4
• SMILES: [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/C12H36N4O18P6.7H3N/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);7*1H3/p-5
• InChIKey: QZXQTKCQJAKXJP-UHFFFAOYSA-I

Properties

• Boiling point: 1265.4°C at 760 mmHg (Cal.)
• Flash point: 719.1°C (Cal.)