| CAS Number | 1160707-20-9 |
| Catalog Number | AG008WAP(AGN-PC-0WR15M) |
| Chemical Name | [(R,R)-MsDPEN-Ru(Mesitylene)Cl], Ru |
| IUPAC Name | [(1R,2R)-2-amino-1,2-diphenylethyl]-methylsulfonylazanide;chlororuthenium(1+);1,3,5-trimethylbenzene |
| InChI | InChI=1S/C15H17N2O2S.C9H12.ClH.Ru/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-7-4-8(2)6-9(3)5-7;;/h2-11,14-15H,16H2,1H3;4-6H,1-3H3;1H;/q-1;;;+2/p-1/t14-,15-;;;/m1.../s1 |
| InChI Key | IACBEXZXCYLFOG-OLVQSPPGSA-M |
| MDL Number | MFCD16294974 |
| Molecular Formula | C24H29ClN2O2RuS |
| Molecular Weight | 546.0873 |
| SMILES | CC1=CC(=CC(=C1)C)C.CS(=O)(=O)[N-]C(C1=CC=CC=C1)C(C2=CC=CC=C2)N.Cl[Ru+] |
| Synonyms | 1160707-20-9,
MFCD16294974,
[(R,R)-MsDPEN-Ru(mesitylene)Cl], Ru 18.5%,
|
| Complexity | 436 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 546.068167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 546.1g/mol |
| Monoisotopic Mass | 546.068167g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 69.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number