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Home > Imidazoles > 141556-42-5
141556-42-5 | 1,3-Dimesityl-1H-imidazol-3-ium-2-ide
CAS No: 141556-42-5 Catalog No: AG003DK4 MDL No:MFCD09265338
Product Description
Catalog Number:
AG003DK4
Chemical Name:
1,3-Dimesityl-1H-imidazol-3-ium-2-ide
CAS Number:
141556-42-5
Molecular Formula:
C21H24N2
Molecular Weight:
304.4287
MDL Number:
MFCD09265338
IUPAC Name:
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide
InChI:
InChI=1S/C21H24N2/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/h7-12H,1-6H3
InChI Key:
JCYWCSGERIELPG-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)n1cc[n+]([c-]1)c1c(C)cc(cc1C)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.437g/mol
Monoisotopic Mass:
304.194g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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