1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-, 1,4-bis(1,1-dimethylethyl) ester Chemical Properties

Boiling point:

519.9±50.0 °C(Predicted)

Density 

1.095±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

solubility 

Chloroform (Slightly), DMSO (Slightly)

pka

4.37±0.10(Predicted)

form 

Solid

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

1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-, 1,4-bis(1,1-dimethylethyl) ester Usage And Synthesis

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