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Dimethylammonium dichlorotri(mu-chloro)bis[(R)-(+)-2,2'-bis(diphenylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl]diruthenate(II)

Catalog Number ACM944451121-1
CAS 944451-12-1
Structure Dimethylammonium dichlorotri(mu-chloro)bis[(R)-(+)-2,2'-bis(diphenylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl]diruthenate(II)
Synonyms [1-(2-Diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride
Molecular Weight 1690
Molecular Formula C90H91Cl5NP4Ru2
Canonical SMILES CNC.C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)P(C5=CC=CC=C5)C6=CC=CC=C6)P(C7=CC=CC=C7)C8=CC=CC=C8.C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)P(C5=CC=CC=C5)C6=CC=CC=C6)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl.[Cl-].[ClH+][Ru-]([ClH+])[ClH+].[Ru]
InChI InChI=1S/2C44H40P2.C2H7N.5ClH.2Ru/c2*1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-3-2;/h2*1-12,19-26,29-32H,13-18,27-28H2;3H,1-2H3;5*1H;/q;+2/p-1
InChI Key GTOHIFITHYJFSD-UHFFFAOYSA-M
Melting Point >100 °C
Purity 97%
Appearance Powder
Exact Mass 1692.26128
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 5
Monoisotopic Mass 1688.263144
Rotatable Bond Count 14
Topological Polar Surface Area 12 Ų

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