Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid
[CAS# 129964-84-7]

Identification

• Name: Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid
• Synonyms: 2-[10,16-Bis(2-Oxido-2-Oxo-Ethyl)-1,7,13-Trioxa-4,10,16-Triazacyclooctadec-4-Yl]Acetate; Gadolinium(+3) Cation; 2-[10,16-Bis(2-Keto-2-Oxido-Ethyl)-1,7,13-Trioxa-4,10,16-Triazacyclooctadec-4-Yl]Acetate; Gadolinium(+3) Cation; 2-[10,16-Bis(2-Oxido-2-Oxo-Ethyl)-1,7,13-Trioxa-4,10,16-Triazacyclooctadec-4-Yl]Ethanoate; Gadolinium(+3) Cation
• Molecular Formula: C₁₈H₃₀GdN₃O₉
• Molecular Weight: 589.70
• CAS Registry Number: 129964-84-7
• SMILES: [Gd+3].C(N1CCOCCN(CC([O-])=O)CCOCCN(CC([O-])=O)CCOCC1)C([O-])=O
• InChI: 1S/C18H33N3O9.Gd/c22-16(23)13-19-1-7-28-9-3-20(14-17(24)25)5-11-30-12-6-21(15-18(26)27)4-10-29-8-2-19;/h1-15H2,(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3
• InChIKey: HQZPCBTWYRQVRC-UHFFFAOYSA-K

Properties

• Boiling point: 667.5°C at 760 mmHg (Cal.)
• Flash point: 357.5°C (Cal.)