(2S)-1-[(1R)-1-(Dimethylamino)ethyl]-2-(diphenylphosphino)ferrocene

Catalog Number	ACM60816980-1
CAS	60816-98-0
Structure
Molecular Weight	441.3
Molecular Formula	C26H28FeNP
Canonical SMILES	CC([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)N(C)C.[CH]1[CH][CH][CH][CH]1.[Fe]
InChI	InChI=1S/C21H23NP.C5H5.Fe/c1-17(22(2)3)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-2-4-5-3-1;/h4-17H,1-3H3;1-5H;
InChI Key	RCAFPSZHKFOLEE-UHFFFAOYSA-N
Melting Point	112-115 °C
Purity	98%
Exact Mass	441.130872
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Monoisotopic Mass	441.130872
Rotatable Bond Count	5
Topological Polar Surface Area	3.2 Ų