Copper(2+), diaquabis(1,2-cyclohexanediamine-|EN,|EN')-, [OC-6-12-(trans),(trans)]-trifluoromethanesulfonate

Catalog Number	ACM2061916343
CAS	2061916-34-3
Synonyms	Copper;[(1R,2R)-2-azanidylcyclohexyl]azanide;trifluoromethanesulfonate;dihydrate
Molecular Weight	472.99
Molecular Formula	C13H28CuF3N4O5S
Canonical SMILES	C1CCC(C(C1)[NH-])[NH-].C1CCC(C(C1)[NH-])[NH-].C(F)(F)(F)S(=O)(=O)[O-].O.O.[Cu+2]
InChI	InChI=1S/2C6H12N2.CHF3O3S.Cu.2H2O/c2*7-5-3-1-2-4-6(5)8;2-1(3,4)8(5,6)7;/h2*5-8H,1-4H2;(H,5,6,7);2*1H2/q2*-2;+2;/p-1/t2*5-,6-;/m1/s1
InChI Key	ZZDQVADYQZKVCB-BNXNSQMOSA-M
Purity	98%
Complexity	305
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Exact Mass	472.102848
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	6
Isomeric SMILES	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(F)(F)(F)S(=O)(=O)[O-].O.O.[Cu+2]
Monoisotopic Mass	472.102848
Rotatable Bond Count	0
Topological Polar Surface Area	71.6 Ų