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


Chemical Name: 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid,tris(1,1-dimethylethyl) ester
CAS Number: 175854-39-4
Product Number: AG00218R(AGN-PC-0QAU2P)
Synonyms:
MDL No:
Molecular Formula: C23H44N4O6
Molecular Weight: 472.6187

Identification/Properties


Properties
MP:
72-73℃
BP:
541.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Stability:
Hygroscopic
Computed Properties
Molecular Weight:
472.627g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
472.326g/mol
Monoisotopic Mass:
472.326g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
621
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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