| CAS Number | 850444-36-9 |
| Catalog Number | AG003CP3(AGN-PC-0UWYMO) |
| Chemical Name | (2R)-1-[(S)-(Dimethylamino)[2-(diphenylphosphino)phenyl]methyl]-2-(diphenylphosphino)ferrocene |
| IUPAC Name | cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopentyl)-1-(3-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron |
| InChI | InChI=1S/C38H34NP2.C5H5.Fe/c1-39(2)38(36-27-16-28-37(36)41(33-22-11-5-12-23-33)34-24-13-6-14-25-34)30-17-15-26-35(29-30)40(31-18-7-3-8-19-31)32-20-9-4-10-21-32;1-2-4-5-3-1;/h3-29,38H,1-2H3;1-5H;/t38-;;/m0../s1 |
| InChI Key | RVZGJYVRGUPFAP-ZCLNGFLVSA-N |
| MDL Number | MFCD08561147 |
| Molecular Formula | C43H39FeNP2 |
| Molecular Weight | 687.5690 |
| SMILES | P([C-]12[Fe+2]3456789(C1([C@@H](N(C)C)C%10=C(P(C%11=CC=CC=C%11)C%12=CC=CC=C%12)C=CC=C%10)=C3(C4(=C52[H])[H])[H])[CH-]%13[CH]6=[CH]7[CH]8=[CH]9%13)(C%14=CC=CC=C%14)C%15=CC=CC=C%15 |
| Synonyms | Taniaphos SL-T001-2,
850444-36-9,
CTK8E6539,
AKOS025295822,
RT-015877,
(S)-(+)-[(S)-2-Diphenylphosphinoferrocenyl](N,N-dimethylamino)(2-diphenylphosphinophenyl)methane,min. 97% taniaphos,
|
| Complexity | 721 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 687.19071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 687.6g/mol |
| Monoisotopic Mass | 687.19071g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 3.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number