Products 488106-79-2

CAS 488106-79-2 is the registry number for Tetrabenzylamino-tetramethyl Cyclen p-TSA salt. Offered by: TRC. Available pack sizes: 10mg, 25mg, 50mg.

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

4-methylbenzenesulfonic acid;(2S,5S,8S,11S)-1,4,7,10-tetrabenzyl-2,5,8,11-tetramethyl-1,4,7,10-tetrazacyclododecane (CAS 488106-79-2) is a chemical compound with the molecular formula C47H60N4O3S and a molecular weight of 761.1 g/mol. IUPAC name: 4-methylbenzenesulfonic acid;(2S,5S,8S,11S)-1,4,7,10-tetrabenzyl-2,5,8,11-tetramethyl-1,4,7,10-tetrazacyclododecane. InChIKey: STWFGWTWHCSVNI-GIOOZNHKSA-N.

Identity
Molecular formulaC47H60N4O3S
Molecular weight761.1 g/mol
IUPAC name4-methylbenzenesulfonic acid;(2S,5S,8S,11S)-1,4,7,10-tetrabenzyl-2,5,8,11-tetramethyl-1,4,7,10-tetrazacyclododecane
InChIKeySTWFGWTWHCSVNI-GIOOZNHKSA-N
SMILESC[C@H]1CN([C@H](CN([C@H](CN([C@H](CN1CC2=CC=CC=C2)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C)CC5=CC=CC=C5.CC1=CC=C(C=C1)S(=O)(=O)O

Computed by PubChem (NCBI)