Product Name
1,4,7,10-Tetraazacyclododecane
Category
Macrocycles; Supramolecular Host Materials; Monomers
Synonyms
MLS000069489; Cyclen, 97%; AJ-75747; BP-21532; CHEBI:37391; KRYPTOFIX 11 AZA; EC 425-450-9; 964584YO2O; AM20090388; NCGC00018128-02;
IUPAC Name
1,4,7,10-tetrazacyclododecane;
Molecular Weight
172.276g/mol
Molecular Formula
C8H20N4;
Canonical SMILES
C1CNCCNCCNCCN1;
InChI
InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2;
InChI Key
QBPPRVHXOZRESW-UHFFFAOYSA-N;
Application
Macrocyclic aza analogue of the crown ether 12-crown-4. Cyclen compounds are capable of selectively binding cations and are used as a ligand with chemicals used in MRI contrast (as well ass other imaging) agents.
Covalently-Bonded Unit Count
1
Monoisotopic Mass
172.169g/mol
Topological Polar Surface Area
48.1A^2