1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid,tris(1,1-dimethylethyl) ester


Chemical Name: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid,tris(1,1-dimethylethyl) ester
CAS Number: 137076-54-1
Product Number: AG0012TN(AGN-PC-0PL7GJ)
Synonyms:
MDL No:
Molecular Formula: C28H51N4O8-
Molecular Weight: 571.7265

Identification/Properties


Properties
MP:
129-131℃
BP:
632.127°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
572.744g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
14
Exact Mass:
572.379g/mol
Monoisotopic Mass:
572.379g/mol
Topological Polar Surface Area:
129A^2
Heavy Atom Count:
40
Formal Charge:
0
Complexity:
799
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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