| CAS Number | 944451-10-9 |
| Catalog Number | AG003CIG(AGN-PC-0W41PM) |
| Chemical Name | (S)-[(RuCl(DM-BINAP))₂(μ-Cl)₃][NH₂Me₂] |
| IUPAC Name | [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride |
| 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 |
| MDL Number | MFCD09753035 |
| Molecular Formula | C106H107Cl5NP4Ru2 |
| Molecular Weight | 1898.2905 |
| 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] |
| Synonyms | MFCD09753035,
944451-10-9,
944451-08-5,
Dimethylammonium dichlorotri(mu-chloro)bis{(R)-(+)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}diruthenate(II),
Dimethylammonium dichlorotri(mu-chloro)bis{(S)-(-)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl}diruthenate(II),
[NH2Me2][{RuCl((R)-xylbinap)}2(micro-Cl)3],
[NH2Me2][{RuCl((S)-xylbinap)}2(micro-Cl)3],
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride,
|
| Complexity | 1010 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 7 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1901.39g/mol |
| Formal Charge | 1 |
| Heavy Atom Count | 118 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1898.314g/mol |
| Monoisotopic Mass | 1896.388g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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