| CAS Number | 174813-81-1 |
| Catalog Number | AG001ZYN(AGN-PC-0QAMJ6) |
| Chemical Name | Ruthenium, [N-[(1S,2S)-2-(amino-κN)-1,2-diphenylethyl]-4-methylbenzenesulfonamidato-κN]chloro[(1,2,3,4,5,6-η)-1,3,5-trimethylbenzene]- |
| IUPAC Name | [(1S,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;chlororuthenium(1+);1,3,5-trimethylbenzene |
| 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-;;;/m0.../s1 |
| InChI Key | XBNBOGZUDCYNOJ-XCPIVNJJSA-M |
| MDL Number | MFCD03791032 |
| 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 | RuCl[(S,S)-TsDPEN](mesitylene),
174813-81-1,
CTK8E7375,
KS-000018VY,
RT-015463,
J-011043,
Ruthenium, [N-[(1S,2S)-2-(amino-kappaN)-1,2-diphenylethyl]-4-methylbenzenesulfonamidato-kappaN]chloro[(1,2,3,4,5,6-eta)-1,3,5-trimethylbenzene]-,
|
| Complexity | 568 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| 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 | 4 |
| 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
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number