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127985-74-4

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127985-74-4 Structure

127985-74-4 Structure
IdentificationBack Directory
[Name]

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]-
[CAS]

127985-74-4
[Synonyms]

DOTA-Bn-SCN
p-SCN-Bn-DOTA
DOTA-p-NCS-Bn
p-NCS-Bn-DOTA
p-SCN-Bn-DOTA, ≥94%
p-SCN-Bn-DOTA(B-205)
p-SCN-Bn-DOTA,(p-SCN-Bn)-dota
S-2-(4-Aminobenzyl)-1, 4, 7, 10-tetraazacyclododecane tetraacetic acid
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]-
2,2',2'',2'''-(2-(4-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid
2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
[Molecular Formula]

C24H33N5O8S
[MDL Number]

MFCD11112156
[MOL File]

127985-74-4.mol
[Molecular Weight]

551.61
Chemical PropertiesBack Directory
[Boiling point ]

826.9±65.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[pka]

2.46±0.10(Predicted)
Hazard InformationBack Directory
[Uses]

p-SCN-Bn-DOTA, is a Bifunctional chelator, that can be used in the preparation of gadolinium complexes as MRI blood contrast agents.
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