| CAS Number | 1333981-84-2 |
| Catalog Number | AG009F5F(AGN-PC-0WQUP7) |
| Chemical Name | N-[(1R,2R)-1,2-Diphenyl-2-(2-(4-Methylbenzyloxy)ethylaMino)-ethyl]-4-Methylbenzene sulfonaMide(chloro)rutheniuM(II) (R,R)-Ts-DENEB 1333981-84-2 |
| IUPAC Name | chlororuthenium(1+);[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide |
| InChI | InChI=1S/C31H33N2O3S.ClH.Ru/c1-24-13-17-26(18-14-24)23-36-22-21-32-30(27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)33-37(34,35)29-19-15-25(2)16-20-29;;/h3-20,30-32H,21-23H2,1-2H3;1H;/q-1;;+2/p-1/t30-,31-;;/m1../s1 |
| InChI Key | INKUCOHLIHBSDN-ZAMYOOMVSA-M |
| MDL Number | MFCD20922902 |
| Molecular Formula | C31H33ClN2O3RuS |
| Molecular Weight | 650.1933 |
| SMILES | O=S(=O)(C1=CC=C(C=C1)C)[N-]2C(C=3C=CC=CC3)C(C=4C=CC=CC4)[NH]5CCOCC67=[CH]8[CH]9=C%10(C)[CH]%11=[CH]6[Ru+2]29%1185%107[Cl-] |
| Synonyms | (R,R)-Ts-DENEB(regR),
1333981-84-2,
(R,R)-Ts-DENEB,
MFCD20922902,
N-[(1R,2R)-1,2-Diphenyl-2-(2-(4-methylbenzyloxy)ethylamino)-ethyl]-4-methylbenzene sulfonamide(chloro)ruthenium(II),
N-[(1R,2R)-1,2-Diphenyl-2-(2-(4-Methylbenzyloxy)ethylaMino)-ethyl]-4-Methylbenzene sulfonaMide(chloro)rutheniuM(II) (R,R)-Ts-DENEB 1333981-84-2,
|
| Complexity | 739 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 650.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 650.196g/mol |
| Monoisotopic Mass | 650.094g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number