Bis(2-Methyl-2-Propanyl) 2,2'-(1,4,7,10-Tetraazacyclododecane-1,7-Diyl)Diacetate
[CAS# 162148-48-3]

Identification

• Name: Bis(2-Methyl-2-Propanyl) 2,2'-(1,4,7,10-Tetraazacyclododecane-1,7-Diyl)Diacetate
• Synonyms: 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, bis(1,1-dimethylethyl) ester; 1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane; Cyclen-1,7-diacetic acid di-tert-butyl ester
• Molecular Formula: C₂₀H₄₀N₄O₄
• Molecular Weight: 400.56
• CAS Registry Number: 162148-48-3
• SMILES: CC(C)(C)OC(=O)CN1CCNCCN(CCNCC1)CC(=O)OC(C)(C)C
• InChI: 1S/C20H40N4O4/c1-19(2,3)27-17(25)15-23-11-7-21-9-13-24(14-10-22-8-12-23)16-18(26)28-20(4,5)6/h21-22H,7-16H2,1-6H3
• InChIKey: OERWIIJOLSXGAQ-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 488.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 249.3±28.7°C (Cal.)
• Refractive index: 1.46 (Cal.)

Safety Data

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