2,2',2'',2'''-(1,4,7,10-Tetraazacyclotridecane-1,4,7,10-Tetrayl)Tetraacetic Acid
[CAS# 60239-20-5]

Identification

• Name: 2,2',2'',2'''-(1,4,7,10-Tetraazacyclotridecane-1,4,7,10-Tetrayl)Tetraacetic Acid
• Synonyms: 1,4,7,10-TETRAKIS(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLOTRIDECANE; TRITA
• Molecular Formula: C₁₇H₃₀N₄O₈
• Molecular Weight: 418.44
• CAS Registry Number: 60239-20-5
• SMILES: C1CN(CCN(CCN(CCN(C1)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
• InChI: 1S/C17H30N4O8/c22-14(23)10-18-2-1-3-19(11-15(24)25)5-7-21(13-17(28)29)9-8-20(6-4-18)12-16(26)27/h1-13H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)
• InChIKey: WTHDJYYROCOPPR-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 700.3±60.0°C at 760 mmHg (Cal.)
• Flash point: 377.3±32.9°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin