[1-[2-Bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride

Catalog Number	ACM944451109-1
CAS	944451-10-9
Structure
Synonyms	Dimethylammoniumdichlorotri(μ-chloro)bis{(S)-(-)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}diruthenate(II)[NH2Me2][{RuCl((S)-xylbinap)}2 (μ-Cl)3]
Molecular Weight	1898.3
Molecular Formula	C106H107Cl5NP4Ru2
Canonical SMILES	CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CNC.Cl.[Cl-].[ClH+][Ru-]([ClH+])[ClH+].[Ru]
InChI	InChI=1S/2C52H48P2.C2H7N.5ClH.2Ru/c2*1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;1-3-2;/h2*9-32H,1-8H3;3H,1-2H3;5*1H;/q;+2/p-1
InChI Key	LJSDQAUPXVWQNF-UHFFFAOYSA-M
Melting Point	>100 °C
Appearance	Powder
Exact Mass	1901.38983
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	5
Monoisotopic Mass	1896.388345
Rotatable Bond Count	14
Topological Polar Surface Area	12 Ų