2,2',2'',2''',2'''',2'''''-(1,3,5-Triazine-2,4,6-Triyltrinitrilo)Hexaacetic Acid
[CAS# 1258-71-5]

Identification

• Name: 2,2',2'',2''',2'''',2'''''-(1,3,5-Triazine-2,4,6-Triyltrinitrilo)Hexaacetic Acid
• Synonyms: {[4,6-Bis-(bis-carboxymethyl-amino)-[1,3,5]triazin-2-yl]-carboxymethyl-amino}-acetic acid; 2,4,6-Triamino-1,3,5-triazine-N,N,N',N',N'',N''-hexacetic acid
• Molecular Formula: C₁₅H₁₈N₆O₁₂
• Molecular Weight: 474.34
• CAS Registry Number: 1258-71-5
• SMILES: OC(=O)CN(CC(O)=O)c1nc(nc(n1)N(CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O
• InChI: 1S/C15H18N6O12/c22-7(23)1-19(2-8(24)25)13-16-14(20(3-9(26)27)4-10(28)29)18-15(17-13)21(5-11(30)31)6-12(32)33/h1-6H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)
• InChIKey: DJHGZIHTRHTINN-UHFFFAOYSA-N

Properties

• Density: 1.898g/cm³ (Cal.)
• Boiling point: 1013.564°C at 760 mmHg (Cal.)
• Flash point: 566.783°C (Cal.)
• Refractive index: 1.738 (Cal.)