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Home > Imidazoles > 64697-40-1
64697-40-1 | 1-Methyl-3-n-octylimidazolium Chloride
CAS No: 64697-40-1 Catalog No: AG003JOQ MDL No:MFCD03095432
Product Description
Catalog Number:
AG003JOQ
Chemical Name:
1-Methyl-3-n-octylimidazolium Chloride
CAS Number:
64697-40-1
Molecular Formula:
C12H23ClN2
Molecular Weight:
230.7774
MDL Number:
MFCD03095432
IUPAC Name:
1-methyl-3-octylimidazol-1-ium;chloride
InChI:
InChI=1S/C12H23N2.ClH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1
InChI Key:
OXFBEEDAZHXDHB-UHFFFAOYSA-M
SMILES:
CCCCCCCC[n+]1ccn(c1)C.[Cl-]
NSC Number:
747264
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.155g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.78g/mol
Monoisotopic Mass:
230.155g/mol
Rotatable Bond Count:
7
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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