| CAS Number | 935449-46-0 |
| Catalog Number | AG003C6K(AGN-PC-0WG3NO) |
| Chemical Name | Dimethylammonium dichlorotri(μ-chloro)bis{(R)-(+)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole}diruthenate(II) |
| IUPAC Name | [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride |
| InChI | InChI=1S/2C46H44O4P2.C2H7N.5ClH.2Ru/c2*1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;1-3-2;;;;;;;/h2*9-24H,25-26H2,1-8H3;3H,1-2H3;5*1H;;/q;;;;;;;;;+2/p-1 |
| InChI Key | CABGTUSYWYURQC-UHFFFAOYSA-M |
| MDL Number | MFCD09753038 |
| Molecular Formula | C94H99Cl5NO8P4Ru2 |
| Molecular Weight | 1874.0938 |
| SMILES | CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)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=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)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 | 935449-46-0,
944451-14-3,
(R)-[(RuCl(DM-SEGPHOS®)2(|I-Cl)3][NH2Me2],
(R)-[(RuCl(DM-SEGPHOS(R))2(mu-Cl)3][NH2Me2],
(S)-[(RuCl(DM-SEGPHOS(R)))2(mu-Cl)3][NH2Me2],
(S)-[(RuCl(DM-SEGPHOS®))2(|I-Cl)3][NH2Me2],
Dimethylammonium dichlorotri(|I-chloro)bis[(R)-(+)-5,5 inverted exclamation marka-bis[di(3,5-xylyl)phosphino]-4,4 inverted exclamation marka-bi-1,3-benzodioxole]diruthenate(II),
Dimethylammonium dichlorotri(|I-chloro)bis[(S)-(-)-5,5 inverted exclamation marka-bis[di(3,5-xylyl)phosphino]-4,4 inverted exclamation marka-bi-1,3-benzodioxole]diruthenate(II),
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| Complexity | 1000 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 7 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1877.287g/mol |
| Formal Charge | 1 |
| Heavy Atom Count | 114 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1874.11g/mol |
| Monoisotopic Mass | 1872.285g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 85.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number