Tetraethyl 2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-Tetrayl)Tetraacetate
[CAS# 126320-57-8]

Identification

• Name: Tetraethyl 2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-Tetrayl)Tetraacetate
• Synonyms: 1,4,8,11-Tetrakis(ethoxycarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane; Cyclam-N,N',N",N'"-tetraacetic acid tetraethyl ester; Cyclam-N,N',N",N'"-tetraacetic acid, tetraethyl ester
• Molecular Formula: C₂₆H₄₈N₄O₈
• Molecular Weight: 544.68
• CAS Registry Number: 126320-57-8
• SMILES: CCOC(=O)CN1CCCN(CCN(CCCN(CC1)CC(=O)OCC)CC(=O)OCC)CC(=O)OCC
• InChI: 1S/C26H48N4O8/c1-5-35-23(31)19-27-11-9-12-29(21-25(33)37-7-3)17-18-30(22-26(34)38-8-4)14-10-13-28(16-15-27)20-24(32)36-6-2/h5-22H2,1-4H3
• InChIKey: HGPDBLIYOCNCEH-UHFFFAOYSA-N

Properties

• Density: 1.01-1.13 (Expl.)
• Melting point: 87-89°C (Expl.)
• Boiling point: 593.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 313.0±30.1°C (Cal.)
• Refractive index: 1.47 (Cal.)

Safety Data

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