| CAS Number | 174813-82-2 |
| Catalog Number | AG00AD05(AGN-PC-0QAMJK) |
| Chemical Name | Chloro{[(1R,2R)-(-)-2-amino-1,2-diphenylethyl](4-toluenesulfonyl)amido}(mesitylene)ruthenium(II) |
| IUPAC Name | [(1R,2R)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;ruthenium(2+);1,3,5-trimethylbenzene;chloride |
| InChI | InChI=1S/C21H21N2O2S.C9H12.ClH.Ru/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-7-4-8(2)6-9(3)5-7;;/h2-15,20-21H,22H2,1H3;4-6H,1-3H3;1H;/q-1;;;+2/p-1/t20-,21-;;;/m1.../s1 |
| InChI Key | XBNBOGZUDCYNOJ-AGEKDOICSA-M |
| MDL Number | MFCD14156019 |
| Molecular Formula | C30H29ClN2O2RuS |
| Molecular Weight | 618.1515 |
| SMILES | [Cl-][Ru+2]123456([N-]([C@H](C7=CC=CC=C7)[C@@H](C8=CC=CC=C8)N6)S(=O)(C9=CC=C(C)C=C9)=O)C%10=C1(C)C2=C3(C)C4=C5%10C |
| Synonyms | 174813-82-2,
RuCl[(R,R)-TsDPEN](mesitylene),
R0127,
[(R,R)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide]chloro(mesitylene)ruthenium(II),
Chloro(mesitylene)[(R,R)-N-(p-toluenesulfonyl)-1,2-diphenylethylenediamine]ruthenium(II),
chloro[(1r,2r)-n-(p-toluenesulfonyl)-1,2-diphenylethanediamine](mesitylene)ruthenium(ii),
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| Complexity | 566 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 622.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 622.186g/mol |
| Monoisotopic Mass | 622.099g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 69.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number