3,6,9,12-Tetraazatetradecanedioic acid,3,6,9,12-tetrakis(carboxymethyl)-


Chemical Name: 3,6,9,12-Tetraazatetradecanedioic acid,3,6,9,12-tetrakis(carboxymethyl)-
CAS Number: 869-52-3
Product Number: AG00GS8A(AGN-PC-0V9F61)
Synonyms:
MDL No:
Molecular Formula: C18H30N4O12
Molecular Weight: 494.4504

Identification/Properties


Computed Properties
Molecular Weight:
494.454g/mol
XLogP3:
-11.2
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
16
Rotatable Bond Count:
21
Exact Mass:
494.186g/mol
Monoisotopic Mass:
494.186g/mol
Topological Polar Surface Area:
237A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
640
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
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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