(2-Methyl-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato)gallium
[CAS# 121777-46-6]

Identification

• Name: (2-Methyl-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato)gallium
• Synonyms: Gadolinium(+3) Cation; Hydron; 2-[2-Methyl-4,7,10-Tris(2-Oxido-2-Oxo-Ethyl)-1,4,7,10-Tetrazacyclododec-1-Yl]Acetate; Gadolinium(+3) Cation; Hydron; 2-[4,7,10-Tris(2-Keto-2-Oxido-Ethyl)-2-Methyl-1,4,7,10-Tetrazacyclododec-1-Yl]Acetate
• Molecular Formula: C₁₇H₂₇GdN₄O₈
• Molecular Weight: 572.67
• CAS Registry Number: 121777-46-6
• SMILES: [Gd+3].[H+].C(N1C(CN(CCN(CCN(CC1)CC([O-])=O)CC([O-])=O)CC([O-])=O)C)C([O-])=O
• InChI: 1S/C17H30N4O8.Gd/c1-13-8-20(11-16(26)27)5-4-18(9-14(22)23)2-3-19(10-15(24)25)6-7-21(13)12-17(28)29;/h13H,2-12H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3
• InChIKey: YXQJHBCWAPKEIJ-UHFFFAOYSA-K

Properties

• Boiling point: 697.3°C at 760 mmHg (Cal.)
• Flash point: 375.5°C (Cal.)