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

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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 Structure CAS#: 137076-50-7, Tetraethyl 2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-Tetrayl)Tetraacetate
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  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
SDS Available
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List of Reports Available for Tetraethyl 2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-Tetrayl)Tetraacetate
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