| CAS Number | 429678-11-5 |
| Catalog Number | AG00C8M6(AGN-PC-0RR7IW) |
| Chemical Name | Dichloro{(1R,2R)-N,N-bis[2-(diphenylphosphino)benzyl]cyclohexane-1,2-diamine}ruthenium(II) |
| IUPAC Name | (1R,2R)-2-N,2-N-bis[(2-diphenylphosphanylphenyl)methyl]cyclohexane-1,2-diamine;dichlororuthenium |
| InChI | InChI=1S/C44H44N2P2.2ClH.Ru/c45-41-29-15-16-30-42(41)46(33-35-19-13-17-31-43(35)47(37-21-5-1-6-22-37)38-23-7-2-8-24-38)34-36-20-14-18-32-44(36)48(39-25-9-3-10-26-39)40-27-11-4-12-28-40;;;/h1-14,17-28,31-32,41-42H,15-16,29-30,33-34,45H2;2*1H;/q;;;+2/p-2/t41-,42-;;;/m1.../s1 |
| InChI Key | VGKAYBPSYGBYDE-KGDVQYBBSA-L |
| MDL Number | MFCD17018808 |
| Molecular Formula | C44H44Cl2N2P2Ru |
| Molecular Weight | 834.7571 |
| SMILES | Cl[Ru]12([N@H]3CC4=C(C=CC=C4)[P]2(C5=CC=CC=C5)C6=CC=CC=C6)(Cl)[N@H]([C@H]7[C@H]3CCCC7)CC(C=CC=C8)=C8[P]1(C9=CC=CC=C9)C%10=CC=CC=C%10 |
| Synonyms | Dichloro{(1R,2R)-N,N-bis[2-(diphenylphosphino)benzyl]cyclohexane-1,2-diamine}ruthenium(II),
429678-11-5,
|
| Complexity | 808 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 834.140019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 834.8g/mol |
| Monoisotopic Mass | 834.140019g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 29.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number