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Home > Imidazoles > 114569-84-5
114569-84-5 | 1H-Imidazolium, 3-dodecyl-1-methyl-, chloride (1:1)
CAS No: 114569-84-5 Catalog No: AG000EQR MDL No:
Product Description
Catalog Number:
AG000EQR
Chemical Name:
1H-Imidazolium, 3-dodecyl-1-methyl-, chloride (1:1)
CAS Number:
114569-84-5
Molecular Formula:
C16H33ClN2
Molecular Weight:
288.8996
IUPAC Name:
1-dodecyl-3-methylimidazol-3-ium;chloride
InChI:
InChI=1S/C16H31N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;/h14-16H,3-13H2,1-2H3;1H/q+1;/p-1
InChI Key:
OPXNHKQUEXEWAM-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCN1C=C[NH+](C1)C.[Cl-]
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.218g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.888g/mol
Monoisotopic Mass:
286.218g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| A profile of the in vitro anti-tumor activity of imidazolium-based ionic liquids. | Bioorganic & medicinal chemistry letters 20100115 |
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