Dichloro{(1S,2S)-N,N-bis[2-(diphenylphosphino)benzyl]cyclohexane-1,2-diamine}ruthenium(II)

Catalog Number	ACM302924374-1
CAS	302924-37-4
Structure
Synonyms	(1S,2S)-1-N,2-N-Bis[(2-diphenylphosphanylphenyl)methyl]cyclohexane-1,2-diamine;ruthenium(2+);dichloride
Molecular Weight	834.8
Molecular Formula	C44H44Cl2N2P2Ru
Canonical SMILES	C1CCC(C(C1)NCC2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)NCC5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7.[Cl-].[Cl-].[Ru+2]
InChI	InChI=1S/C44H44N2P2.2ClH.Ru/c1-5-21-37(22-6-1)47(38-23-7-2-8-24-38)43-31-17-13-19-35(43)33-45-41-29-15-16-30-42(41)46-34-36-20-14-18-32-44(36)48(39-25-9-3-10-26-39)40-27-11-4-12-28-40;/h1-14,17-28,31-32,41-42,45-46H,15-16,29-30,33-34H2;2*1H;/q;+2/p-2/t41-,42-;/m0/s1
InChI Key	ARUWPYVEQOFGTQ-MSDIEONBSA-L
Purity	97%
Appearance	Solid
Exact Mass	834.140019
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	C1CC[C@@H]([C@H](C1)NCC2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)NCC5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7.[Cl-].[Cl-].[Ru+2]
Monoisotopic Mass	834.140019
Rotatable Bond Count	12
Topological Polar Surface Area	24.1 Ų