Products 122555-91-3

CAS 122555-91-3 appears in our catalog under these names: Gadobutrol Impurity 23, Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate, >95% (HPLC), DO3A tert-Butyl ester, DO3A tert–Butyl ester (DO3A tert–butyl), 1,4,7-Tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclo. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Thermo Scientific (Alfa Aesar). Available pack sizes: on request, 250mg, 10mg, 25mg, 1g, 500mg, 50g, 25g.

Structural formula: {0} (CAS {1})

Tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate (CAS 122555-91-3) is a chemical compound with the molecular formula C26H50N4O6 and a molecular weight of 514.7 g/mol. IUPAC name: tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate. InChIKey: NMHVTLJFPDOJOD-UHFFFAOYSA-N.

Identity
Molecular formulaC26H50N4O6
Molecular weight514.7 g/mol
IUPAC nametert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
InChIKeyNMHVTLJFPDOJOD-UHFFFAOYSA-N
SMILESCC(C)(C)OC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

Computed by PubChem (NCBI)