| CAS Number | 876608-69-4 |
| Catalog Number | AG01DBI0(AGN-PC-0VFNRS) |
| Chemical Name | (SP,S'P)-1,1'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2,2'-bis[(R)-alpha-(dimethylamino)benzyl]ferrocene |
| IUPAC Name | (1S)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;iron |
| InChI | InChI=1S/2C32H42NO2P.Fe/c2*1-21-17-26(18-22(2)31(21)34-7)36(27-19-23(3)32(35-8)24(4)20-27)29-16-12-15-28(29)30(33(5)6)25-13-10-9-11-14-25;/h2*9-11,13-14,17-20,28-30H,12,15-16H2,1-8H3;/t2*28?,29?,30-;/m11./s1 |
| InChI Key | JLZZZSGLLNEMEF-DFDXBSHASA-N |
| MDL Number | MFCD04117704 |
| Molecular Formula | C64H74FeN2O4P2 |
| Molecular Weight | 1053.0759 |
| SMILES | P([C-]12[Fe+2]3456789([C-]%10(P(C%11=CC(C)=C(OC)C(C)=C%11)C%12=CC(C)=C(OC)C(C)=C%12)C3([C@H](N(C)C)C%13=CC=CC=C%13)=C4([CH]5=C6%10[H])[H])C1([C@H](N(C)C)C%14=CC=CC=C%14)=[CH]7C8(=C92[H])[H])(C%15=CC(C)=C(OC)C(C)=C%15)C%16=CC(C)=C(OC)C(C)=C%16 |
| Synonyms | (S,S)-(-)-2,2'-BIS[(R)-(N,N-DIMETHYLAMINO)(PHENYL) METHYL]-1,1'-BIS[DI(3,5-DIMETHYL-4-METHOXYPHENYL)PHOSPHINO] FERROCENE,
876608-69-4,
ACN-036978,
494227-37-1,
|
| Complexity | 611 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1062.525569g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 73 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1063.2g/mol |
| Monoisotopic Mass | 1062.525569g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 43.4Ų |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number