Gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)
[CAS# 120691-20-5]

Identification

• Name: Gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)
• Synonyms: [5,9-Bis(Phosphonatomethyl)-1,5,9-Triazacyclododec-1-Yl]Methyl-Dioxido-Oxo-Phosphorane; Gadolinium(+3) Cation; [5,9-Bis(Phosphonatomethyl)-1,5,9-Triazacyclododec-1-Yl]Methyl-Keto-Dioxido-Phosphorane; Gadolinium(+3) Cation; Gadolinate(3-), (((1,5,9-Triazacyclododecane-1,5,9-Triyltris(Methylene))Tris(Phosphonato))(6-))-, (Oc-6-22)-
• Molecular Formula: C₁₂H₂₄GdN₃O₉P₃
• Molecular Weight: 604.51
• CAS Registry Number: 120691-20-5
• SMILES: [Gd+3].C([P]([O-])([O-])=O)N1CCCN(C[P]([O-])([O-])=O)CCCN(C[P]([O-])([O-])=O)CCC1
• InChI: 1S/C12H30N3O9P3.Gd/c16-25(17,18)10-13-4-1-5-14(11-26(19,20)21)7-3-9-15(8-2-6-13)12-27(22,23)24;/h1-12H2,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);/q;+3/p-6
• InChIKey: OVDYASUCQCSQGE-UHFFFAOYSA-H

Properties

• Boiling point: 748°C at 760 mmHg (Cal.)
• Flash point: 406.2°C (Cal.)