tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;hydrobromide


Chemical Name: tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;hydrobromide
CAS Number: 149353-23-1
Product Number: AG001LL5(AGN-PC-03GD69)
Synonyms:
MDL No:
Molecular Formula: C26H51BrN4O6
Molecular Weight: 595.6103

Identification/Properties


Computed Properties
Molecular Weight:
595.62g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
12
Exact Mass:
594.299g/mol
Monoisotopic Mass:
594.299g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
37
Formal Charge:
0
Complexity:
665
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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