Gadolinium 1,4,7,10-Tetraazacyclododecane-N,N',N'',N'''-Tetraacetate
[CAS# 92923-44-9]

Identification

• Name: Gadolinium 1,4,7,10-Tetraazacyclododecane-N,N',N'',N'''-Tetraacetate
• Synonyms: Sodium; Gadolinium(+3) Cation; 2-[4,7,10-Tris(2-Oxido-2-Oxo-Ethyl)-1,4,7,10-Tetrazacyclododec-1-Yl]Acetate; Sodium; Gadolinium(+3) Cation; 2-[4,7,10-Tris(2-Keto-2-Oxido-Ethyl)-1,4,7,10-Tetrazacyclododec-1-Yl]Acetate
• Molecular Formula: C₁₆H₂₄GdN₄NaO₈
• Molecular Weight: 580.63
• CAS Registry Number: 92923-44-9
• SMILES: [Gd+3].C(N1CCN(CCN(CCN(CC1)CC([O-])=O)CC([O-])=O)CC([O-])=O)C([O-])=O.[Na+]
• InChI: 1S/C16H28N4O8.Gd.Na/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);;/q;+3;+1/p-4
• InChIKey: VIFBVOSDYUIKIK-UHFFFAOYSA-J

Properties

• Boiling point: 701.6°C at 760 mmHg (Cal.)
• Flash point: 378.1°C (Cal.)