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Home > Imidazoles > 244187-81-3
244187-81-3 | 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium-2-ide
CAS No: 244187-81-3 Catalog No: AG003DH9 MDL No:MFCD07781991
Product Description
Catalog Number:
AG003DH9
Chemical Name:
1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium-2-ide
CAS Number:
244187-81-3
Molecular Formula:
C27H36N2
Molecular Weight:
388.5881
MDL Number:
MFCD07781991
IUPAC Name:
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide
InChI:
InChI=1S/C27H36N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-16,18-21H,1-8H3
InChI Key:
VYCIHDBIKGRENI-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1n1cc[n+]([c-]1)c1c(cccc1C(C)C)C(C)C)C(C)C)C
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.288g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.599g/mol
Monoisotopic Mass:
388.288g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
Literature
| Title | Journal |
|---|---|
| Insight into the role of the counteranion of an imidazolium salt in organocatalysis: a combined experimental and computational study. | Chemistry (Weinheim an der Bergstrasse, Germany) 20110516 |
| Synthesis of N-heterocyclic carbene ligands and derived ruthenium olefin metathesis catalysts. | Nature protocols 20110101 |
| Rational exploration of N-heterocyclic carbene (NHC) palladacycle diversity: a highly active and versatile precatalyst for Suzuki-Miyaura coupling reactions of deactivated aryl and alkyl substrates. | Chemistry (Weinheim an der Bergstrasse, Germany) 20100406 |
| Synthesis and characterization of IPr(Me)-containing silver(I), gold(I) and gold(III) complexes. | Dalton transactions (Cambridge, England : 2003) 20090921 |
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