| Identification | Back Directory | [Name]
1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-, 1,4-bis(1,1-dimethylethyl) ester | [CAS]
1161415-28-6 | [Synonyms]
NOTA(tBu)2
NOTA-(COOt-Bu)2
bis-t-butyl-NOTA
NOTA-bis(t-Bu ester)
NOTA-bis(t-Butyl ester)
2-[4,7-Bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7-triazonan-1-yl]acetic Acid
2-S(4-Isothiocyanatobenzyl)-1, 4, 7-triazacyclononane-1, 4, 7-triacetic acid
2-{4,7-BIS-TERT-BUTOXYCARBONYLMETHYL-[1,4,7] TRIAZOCYCLONONAN-1-YL}ACETIC ACID
1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-, 1,4-bis(1,1-dimethylethyl) ester | [Molecular Formula]
C20H37N3O6 | [MDL Number]
MFCD32706549 | [MOL File]
1161415-28-6.mol | [Molecular Weight]
415.52 |
| Chemical Properties | Back Directory | [Boiling point ]
519.9±50.0 °C(Predicted) | [density ]
1.095±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
Chloroform (Slightly), DMSO (Slightly) | [form ]
Solid | [pka]
4.37±0.10(Predicted) | [color ]
Pale Yellow to Yellow | [Stability:]
Hygroscopic | [InChI]
InChI=1S/C20H37N3O6/c1-19(2,3)28-17(26)14-22-9-7-21(13-16(24)25)8-10-23(12-11-22)15-18(27)29-20(4,5)6/h7-15H2,1-6H3,(H,24,25) | [InChIKey]
UACSRZWSADEYPK-UHFFFAOYSA-N | [SMILES]
C(N1CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)O)C(=O)OC(C)(C)C |
| Hazard Information | Back Directory | [Description]
2-(4,7-Bis(2-(tert-butoxy)-2-oxoethyl)-1,4,7-triazonan-1-yl)acetic acid is a bifunctional chelating agent with two t-butyl groups and one acid group that shows high complexation constant with metals. | [Uses]
NOTA-bis(t-Bu ester), is a bifunctional chelator. | [IC 50]
RDC Bifunctional Chelator |
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