{[(1R,2R)-2-Amino-1,2-diphenylethyl](4-toluenesulfonyl)amido}(p-cymene)(pyridine)ruthenium(II) tetrafluoroborate

Catalog Number	ACM1192483149-1
CAS	1192483-14-9
Structure
Synonyms	(2-Amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;pyridine;ruthenium(2+);tetrafluoroborate
Molecular Weight	766.7
Molecular Formula	C36H40BF4N3O2RuS
Canonical SMILES	[B-](F)(F)(F)F.CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C3=CC=CC=C3)N.C1=CC=NC=C1.[Ru+2]
InChI	InChI=1S/C21H21N2O2S.C10H14.C5H5N.BF4.Ru/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-8(2)10-6-4-9(3)5-7-10;1-2-4-6-5-3-1;2-1(3,4)5;/h2-15,20-21H,22H2,1H3;4-8H,1-3H3;1-5H;/q-1;-1;+2
InChI Key	JXYHWMWYOCFNBE-UHFFFAOYSA-N
Purity	97%
Appearance	Yellow brown solid
Complexity	653
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	767.191382
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Monoisotopic Mass	767.191382
Rotatable Bond Count	7
Topological Polar Surface Area	82.4 Ų