[Bis(pyrazol-1-yl)(acetimino)hydridoborato](p-cymene)ruthenium(II) trifluoromethanesulfonate

Catalog Number	ACM1607436496-1
CAS	1607436-49-6
Synonyms	3-Methyl-6-propan-2-ylcyclohexa-1,4-diene
IUPAC Name	di(pyrazol-1-yl)boron;ethanimine;3-methyl-6-propan-2-ylcyclohexa-1,4-diene;ruthenium(2+);trifluoromethanesulfonate;
Molecular Weight	573.4
Molecular Formula	C19H26BF3N5O3RuS
Canonical SMILES	[B](N1C=CC=N1)N2C=CC=N2.C[C]=N.CC1C=CC(C=C1)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]
InChI	InChI=1S/C10H16.C6H6BN4.C2H4N.CHF3O3S.Ru/c1-8(2)10-6-4-9(3)5-7-10;1-3-8-10(5-1)7-11-6-2-4-9-11;1-2-3;2-1(3,4)8(5,6)7;/h4-10H,1-3H3;1-6H;3H,1H3;(H,5,6,7);/q;+2/p-1
InChI Key	WZSBQJNPTYRUOV-UHFFFAOYSA-M
Purity	98%
Appearance	Yellow powder
Application	Dual site catalyst for the mild, selective nitrile reduction.
Complexity	410
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	574.084491
Formal Charge	1
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Monoisotopic Mass	574.084491
Rotatable Bond Count	3
Topological Polar Surface Area	125 Ų