| CAS Number | 1651823-59-4 |
| Catalog Number | AG01EGAC |
| Chemical Name | Methanesulfonato(diadamantyl-n-butylphosphino)-2'-amino-1,1'-biphenyl-2-yl)palladium(II) dichloromethane adduct |
| IUPAC Name | bis(1-adamantyl)-butylphosphane;methanesulfonic acid;palladium;2-phenylaniline |
| InChI | InChI=1S/C24H39P.C12H10N.CH4O3S.Pd/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h17-22H,2-16H2,1H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;; |
| InChI Key | YVQODDXCXHAKRJ-UHFFFAOYSA-N |
| MDL Number | MFCD28144563 |
| Molecular Formula | C37H52NO3PPdS |
| Molecular Weight | 728.2724 |
| SMILES | O=S(=O)([O-][Pd+2]1([C-]=2C=CC=CC2C=3C=CC=CC3[NH2]1)[P](CCCC)(C45CC6CC(CC(C6)C4)C5)C78CC9CC(CC(C9)C7)C8)C |
| Synonyms | Methanesulfonato(diadamantyl-n-butylphosphino)-2'-amino-1,1'-biphenyl-2-yl)palladium(II),
1651823-59-4,
cataCXium(R) A Pd G3, 95%,
|
| Complexity | 857 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 728.25186g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 729.3g/mol |
| Monoisotopic Mass | 728.25186g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 88.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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