Gadolinium 1,4,8,11-Tetraazacyclotetradecane-N,N',N'',N'''-Tetraacetic Acid
[CAS# 117652-04-7]

Identification

• Name: Gadolinium 1,4,8,11-Tetraazacyclotetradecane-N,N',N'',N'''-Tetraacetic Acid
• Synonyms: Gadolinium(+3) Cation; 2-[4,8,11-Tris(2-Oxido-2-Oxo-Ethyl)-1,4,8,11-Tetrazacyclotetradec-1-Yl]Acetate; Gadolinium(+3) Cation; 2-[4,8,11-Tris(2-Keto-2-Oxido-Ethyl)-1,4,8,11-Tetrazacyclotetradec-1-Yl]Acetate; Gadolinium(+3) Cation; 2-[4,8,11-Tris(2-Oxido-2-Oxo-Ethyl)-1,4,8,11-Tetrazacyclotetradec-1-Yl]Ethanoate
• Molecular Formula: C₁₈H₂₈GdN₄O₈
• Molecular Weight: 585.69
• CAS Registry Number: 117652-04-7
• SMILES: [Gd+3].C(N1CCN(CCCN(CCN(CCC1)CC([O-])=O)CC([O-])=O)CC([O-])=O)C([O-])=O
• InChI: 1S/C18H32N4O8.Gd/c23-15(24)11-19-3-1-4-20(12-16(25)26)8-10-22(14-18(29)30)6-2-5-21(9-7-19)13-17(27)28;/h1-14H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30);/q;+3/p-4
• InChIKey: CMKXNCQTSFYBFZ-UHFFFAOYSA-J

Properties

• Boiling point: 700.1°C at 760 mmHg (Cal.)
• Flash point: 377.2°C (Cal.)