| CAS Number | 1295649-41-0 |
| Catalog Number | AG009FJ3(AGN-PC-0WNHBL) |
| Chemical Name | Ru-MACHO-BH |
| IUPAC Name | boron(1-);carbon monoxide;2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydride;ruthenium(2+) |
| InChI | InChI=1S/C28H29NP2.CO.B.Ru.H/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-2;;;/h1-20,29H,21-24H2;;;;/q;;-1;+2;-1 |
| InChI Key | DSVGRZDQKCWIMC-UHFFFAOYSA-N |
| MDL Number | MFCD20922901 |
| Molecular Formula | C29H34BNOP2Ru |
| Molecular Weight | 586.4149 |
| SMILES | [H-][B+3]([H-])([H-])[H-][Ru+2]12([H-])(C#O)[NH](CC[P]1(C=3C=CC=CC3)C=4C=CC=CC4)CC[P]2(C=5C=CC=CC5)C=6C=CC=CC6 |
| Synonyms | Carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)amino]ruthenium(II),
Ru-MACHO(regR)-BH,
1295649-41-0,
R0137,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 583.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 582.393g/mol |
| Monoisotopic Mass | 583.094g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 13A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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