Tetraethyl 2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-Tetrayl)Tetraacetate
[CAS# 137076-50-7]

Identification

• Name: Tetraethyl 2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-Tetrayl)Tetraacetate
• Synonyms: 1,4,7,10-Tetrakis(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane; Cyclen-N,N',N",N'"-tetraacetic acid tetraethyl ester; DOTAEt
• Molecular Formula: C₂₄H₄₄N₄O₈
• Molecular Weight: 516.63
• CAS Registry Number: 137076-50-7
• SMILES: CCOC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OCC)CC(=O)OCC)CC(=O)OCC
• InChI: 1S/C24H44N4O8/c1-5-33-21(29)17-25-9-11-26(18-22(30)34-6-2)13-15-28(20-24(32)36-8-4)16-14-27(12-10-25)19-23(31)35-7-3/h5-20H2,1-4H3
• InChIKey: SHXTUKRRXWXLMI-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 569.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 298.3±30.1°C (Cal.)
• Refractive index: 1.472 (Cal.)

Safety Data

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