AG000AYF

1142811-12-8 | Palladium, [2-[2-(amino-κN)ethyl]phenyl-κC][bis(1,1-dimethylethyl)[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine]chloro-

AG000AYF

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CAS Number	1142811-12-8
Catalog Number	AG000AYF(AGN-PC-0WAFWS)
Chemical Name	Palladium, [2-[2-(amino-κN)ethyl]phenyl-κC][bis(1,1-dimethylethyl)[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine]chloro-
IUPAC Name	chloropalladium(1+);ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-phenylethanamine
InChI	InChI=1S/C29H45P.C8H10N.ClH.Pd/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;9-7-6-8-4-2-1-3-5-8;;/h13-21H,1-12H3;1-4H,6-7,9H2;1H;/q;-1;;+2/p-1
InChI Key	GITFHTZGVMIBGS-UHFFFAOYSA-M
MDL Number	MFCD12911909
Molecular Formula	C37H55ClNPPd
Molecular Weight	686.6861
SMILES	[Cl-][Pd+2]2([P](C(C)(C)C)(C(C)(C)C)C3=CC=CC=C3C4=C(C(C)C)C=C(C(C)C)C=C4C(C)C)[NH2]CCC1=CC=CC=[C-]12
Synonyms	t-BuXPhos Palladacycle, t-BuXPhos precatalyst, tBuXPhos Pd G1, 1142811-12-8, t-BuXPhos palladium(II) phenethylamine chloride, MFCD12911909, SC10483, [2-(Di-tert-butylphosphino)-2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropyl-1,1 inverted exclamation marka-biphenyl][2-(2-aminoethyl)phenyl)]palladium(II) chloride, [2-(DI-TERT-BUTYLPHOSPHINO)-2',4',6'-TRIISOPROPYL-1,1'-BIPHENYL][2-(2-AMINOETHYL)PHENYL]PALLADIUM(II) CHLORIDE, CHLORO(2-DI-T-BUTYLPHOSPHINO-2',4',6'-TRI-I-PROPYL-1,1'-BIPHENYL)[2-(2-AMINOETHYL)PHENYL] PALLADIUM(II), Chloro(2-di-t-butylphosphino-2',4',6'-triisopropyl-1,1'-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II), Chloro[2-(di-tert-butylphosphino)-2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropyl-1,1 inverted exclamation marka-biphenyl][2-(2-aminoethyl)phenyl)]palladium(II), CHLORO[2-(DI-TERT-BUTYLPHOSPHINO)-2',4',6'-TRIISOPROPYL-1,1'-BIPHENYL][2-(2-AMINOETHYL)PHENYL]PALLADIUM(II),

Complexity	658
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	685.28g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	686.698g/mol
Monoisotopic Mass	685.28g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H351
Packing Group
Precautionary statements	P261-P281-P305+P351+P338
UN Code

Certificate of Analysis

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