P,P'-[1,2-ethanediylbis[[[2-[[2-[bis(phosphonatomethyl)amino]ethyl](phosphonatomethyl)amino]ethyl]imino]methylene]]bis-Phosphonate ammonium salt (1:9)
[CAS# 93858-91-4]

Identification

• Name: P,P'-[1,2-ethanediylbis[[[2-[[2-[bis(phosphonatomethyl)amino]ethyl](phosphonatomethyl)amino]ethyl]imino]methylene]]bis-Phosphonate ammonium salt (1:9)
• Synonyms: nonaammonium heptahydrogen [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate
• Molecular Formula: C₁₈H₇₂N₁₅O₂₄P₈
• Molecular Weight: 1130.64
• CAS Registry Number: 93858-91-4
• EINECS: 299-326-6
• SMILES: [NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P([O-])(=O)CN(CP(=O)([O-])[O-])CCN(CCN(CCN(CCN(CCN(CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O
• InChI: 1S/C18H52N6O24P8.9H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);9*1H3/p-7
• InChIKey: HUMKPTHJGGKHJB-UHFFFAOYSA-G

Properties

• Boiling point: 1489.3°C at 760 mmHg (Cal.)
• Flash point: 854.5°C (Cal.)