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Home > Imidazoles > 141556-45-8
141556-45-8 | 1H-Imidazolium, 1,3-bis(2,4,6-trimethylphenyl)-, chloride (1:1)
CAS No: 141556-45-8 Catalog No: AG001GKR MDL No:MFCD02684541
Product Description
Catalog Number:
AG001GKR
Chemical Name:
1H-Imidazolium, 1,3-bis(2,4,6-trimethylphenyl)-, chloride (1:1)
CAS Number:
141556-45-8
Molecular Formula:
C21H27ClN2
Molecular Weight:
342.9055
MDL Number:
MFCD02684541
IUPAC Name:
1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;chloride
InChI:
InChI=1S/C21H25N2.ClH/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;/h7-13H,1-6H3;1H/q+1;/p-1
InChI Key:
OTOSIXGMLYKKOW-UHFFFAOYSA-M
SMILES:
Cc1cc(C)c(c(c1)C)N1C=C[NH+](C1)c1c(C)cc(cc1C)C.[Cl-]
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.171g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.895g/mol
Monoisotopic Mass:
340.171g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| A mixed-valent, Fe(II)Fe(I), diiron complex reproduces the unique rotated state of the [FeFe]hydrogenase active site. | Journal of the American Chemical Society 20070606 |
| Cyano-phosphorylation of aldehydes catalyzed by a nucleophilic N-heterocyclic carbene. | Chemical & pharmaceutical bulletin 20060301 |
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