4-(di-tert-butylphosphanyl)-N,N-dimethylaniline; {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate

4-(di-tert-butylphosphanyl)-N,N-dimethylaniline; {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate

CAS: 1820817-64-8

Formula: C29H41N2O3PPdS

SMILES: CN(C)C1=CC=C(C=C1)P(C(C)(C)C)C(C)(C)C.CS(=O)(=O)O[Pd]C1=CC=CC=C1C1=CC=CC=C1N

IUPAC: 4-(di-tert-butylphosphanyl)-N,N-dimethylaniline; {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate

InChI: InChI=1S/C16H28NP.C12H10N.CH4O3S.Pd/c1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h9-12H,1-8H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1

Composition: C (54.84%), H (6.51%), N (4.41%), O (7.56%), P (4.88%), Pd (16.76%), S (5.05%)

Molar Mass: 635.11

Atom Count: 78

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	634.161031
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SNUBBUQVCDWEAV-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity	70.63
Topological Polar Surface Area	69.39
Polarizability	33.53
Ring Count	3
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1820817-64-8		$59.27-$219.41$59.27$219.41