1,4,7-Triazacyclononane-N,N',N''-Triacetic Acid
[CAS# 56491-86-2]

Identification

• Name: 1,4,7-Triazacyclononane-N,N',N''-Triacetic Acid
• Synonyms: 2-[4,7-Bis(Carboxymethyl)-1,4,7-Triazonan-1-Yl]Ethanoic Acid; Aids152486; 1,4,7-Triazacyclononane-N,N',N''-Triacetic Acid
• Molecular Formula: C₁₂H₂₁N₃O₆
• Molecular Weight: 303.31
• CAS Registry Number: 56491-86-2
• SMILES: C(N1CCN(CCN(CC1)CC(=O)O)CC(=O)O)C(=O)O
• InChI: 1S/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)
• InChIKey: JHALWMSZGCVVEM-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 572.946°C at 760 mmHg (Cal.)
• Flash point: 300.307°C (Cal.)