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Chloro[(di(1-adamantyl)-N-butylphosphine)-2-(2-aminobiphenyl)]palladium(II)

Catalog Number ACM1375477294-1
CAS 1375477-29-4
Structure Chloro[(di(1-adamantyl)-N-butylphosphine)-2-(2-aminobiphenyl)]palladium(II)
Synonyms Bis(1-adamantyl)-butylphosphane;chloropalladium(1+);2-phenylaniline
Molecular Weight 668.6
Molecular Formula C36H49ClNPPd
Canonical SMILES CCCCP(C12CC3CC(C1)CC(C3)C2)C45CC6CC(C4)CC(C6)C5.C1=CC=C([C-]=C1)C2=CC=CC=C2N.Cl[Pd+]
InChI InChI=1S/C24H39P.C12H10N.ClH.Pd/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h17-22H,2-16H2,1H3;1-6,8-9H,13H2;1H;/q;-1;+2/p-1
InChI Key QJKJIULTPCUPFN-UHFFFAOYSA-M
Melting Point 220 °C
Purity 98%
Exact Mass 667.2326
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
Monoisotopic Mass 667.2326
Rotatable Bond Count 6
Topological Polar Surface Area 26 Ų

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