1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-(2-amino-2-oxoethyl)-, 1,4,7-tris(1,1-dimethylethyl) ester | CAS No. 848481-06-1

1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-(2-amino-2-oxoethyl)-, 1,4,7-tris(1,1-dimethylethyl) ester

Basic Information

CAS Number

848481-06-1

Molecular Formula

C28H53N5O7

Molecular Weight

571.75 g/mol

AD

Basic Physical Properties

Boiling Point

650.1±55.0 °C(Predicted)

Density

1.064±0.06 g/cm3(Predicted)

CC(C)(C)OC(=O)CN1CCN(CC(N)=O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

InChI

InChI=1S/C28H53N5O7/c1-26(2,3)38-23(35)19-31-12-10-30(18-22(29)34)11-13-32(20-24(36)39-27(4,5)6)15-17-33(16-14-31)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H2,29,34)

InChIKey

VPKMQEDXZJXXDN-UHFFFAOYSA-N

pKa

16.36±0.40(Predicted)

Synonyms & References

English

  • 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-(2-amino-2-oxoethyl)-, 1,4,7-tris(1,1-dimethylethyl) ester

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