1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid


Chemical Name: 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid
CAS Number: 60239-18-1
Product Number: AG00E8U5(AGN-PC-0JLNQF)
Synonyms:
MDL No:
Molecular Formula: C16H28N4O8
Molecular Weight: 404.4155

Identification/Properties


Properties
MP:
267 °C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
404.42g/mol
XLogP3:
-10.6
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
8
Exact Mass:
404.191g/mol
Monoisotopic Mass:
404.191g/mol
Topological Polar Surface Area:
162A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
447
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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