CAS
10586-12-6 Purity
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10586-12-6 Purity
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Chloro[(1,3-dimesitylimidazol-2-ylidene)(N,N-dimethylbenzylamine)palladium(II)]
CAS
1058661-78-1
Catalog Number
ACM1058661781-1
Category
Other Products
Molecular Weight
580.5
Molecular Formula
C30H36ClN3Pd
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Specification
Synonyms
[1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]palladium;N,N-dimethyl-1-phenylmethanamine;chloride
IUPAC Name
[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]palladium;N,N-dimethyl-1-phenylmethanamine;chloride
Canonical SMILES
CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Pd])C3=C(C=C(C=C3C)C)C)C.CN(C)CC1=CC=CC=[C-]1.[Cl-]
InChI
InChI=1S/C21H24N2.C9H12N.ClH.Pd/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-10(2)8-9-6-4-3-5-7-9;/h7-12H,1-6H3;3-6H,8H2,1-2H3;1H;/q;-1;/p-1
InChI Key
DGPOQJVFBKBRDT-UHFFFAOYSA-M
Melting Point
225-230 °C
Appearance
Powder
Exact Mass
579.16326
H-Bond Acceptor
5
H-Bond Donor
0
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
0
Monoisotopic Mass
579.16326
Rotatable Bond Count
4
Topological Polar Surface Area
9.7 Ų
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