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(S,S)-(-)-2,2'-Bis((R)-(N,N-dimethylamino)-(phenyl)methyl)-1,1'-di(bis(3,5-dimethyl-4-methoxyphenyl)phosphino)ferrocene

Catalog Number ACM494227371-1
CAS 494227-37-1
Structure (S,S)-(-)-2,2'-Bis((R)-(N,N-dimethylamino)-(phenyl)methyl)-1,1'-di(bis(3,5-dimethyl-4-methoxyphenyl)phosphino)ferrocene
Synonyms (1S)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine
Molecular Weight 1053.1
Molecular Formula C64H74FeN2O4P2
Canonical SMILES CC1=CC(=CC(=C1OC)C)P([C]2[CH][CH][CH][C]2C(C3=CC=CC=C3)N(C)C)C4=CC(=C(C(=C4)C)OC)C.CC1=CC(=CC(=C1OC)C)P([C]2[CH][CH][CH][C]2C(C3=CC=CC=C3)N(C)C)C4=CC(=C(C(=C4)C)OC)C.[Fe]
InChI InChI=1S/2C32H37NO2P.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*9-20,30H,1-8H3;
InChI Key HEJIDMKBSDYNOY-UHFFFAOYSA-N
Purity 97%
Appearance Solid
Exact Mass 1052.447318
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
Monoisotopic Mass 1052.447318
Rotatable Bond Count 16
Topological Polar Surface Area 43.4 Ų

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