Chloropalladium(1+);dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;2-methoxy-2-methylpropane;2-phenylethanamine

Catalog Number	ACM1028206587-1
CAS	1028206-58-7
Structure
Synonyms	SPhos Palladacycle
Molecular Weight	760.7
Molecular Formula	C39H57ClNO3PPd
Canonical SMILES	CC(C)(C)OC.COC1=C(C(=CC=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.C1=CC=C([C-]=C1)CCN.Cl[Pd+]
InChI	InChI=1S/C26H35O2P.C8H10N.C5H12O.ClH.Pd/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;9-7-6-8-4-2-1-3-5-8;1-5(2,3)6-4;/h9-11,16-21H,3-8,12-15H2,1-2H3;1-4H,6-7,9H2;1-4H3;1H;/q;-1;+2/p-1
InChI Key	PKUBBTRMQUGGJP-UHFFFAOYSA-M
Melting Point	176 °C
Purity	98%
Appearance	Powder
Exact Mass	759.27994
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Monoisotopic Mass	759.27994
Rotatable Bond Count	9
Topological Polar Surface Area	53.7 Ų