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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-
CAS No: 1142811-12-8 Catalog No: AG000AYF MDL No:
Product Description
Catalog Number:
AG000AYF
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-
CAS Number:
1142811-12-8
Molecular Formula:
C39H61ClNPPd
Molecular Weight:
716.7551
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
SMILES:
CC(c1cc(cc(c1c1ccccc1P(C(C)(C)C)C(C)(C)C)C(C)C)C(C)C)C.NCCc1ccccc1[Pd](Cl)(C)C
Properties
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
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