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Home > Imidazoles > 179075-88-8
179075-88-8 | 1H-Imidazolium, 3-butyl-1-methyl-, nitrate (1:1)
CAS No: 179075-88-8 Catalog No: AG0026S0 MDL No:MFCD08457696
Product Description
Catalog Number:
AG0026S0
Chemical Name:
1H-Imidazolium, 3-butyl-1-methyl-, nitrate (1:1)
CAS Number:
179075-88-8
Molecular Formula:
C8H17N3O3
Molecular Weight:
203.2389
MDL Number:
MFCD08457696
IUPAC Name:
1-butyl-3-methylimidazol-3-ium;nitrate
InChI:
InChI=1S/C8H15N2.NO3/c1-3-4-5-10-7-6-9(2)8-10;2-1(3)4/h6-8H,3-5H2,1-2H3;/q+1;-1
InChI Key:
WPHIMOZSRUCGGU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)[O-].CCCCN1C=C[NH+](C1)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.226g/mol
Monoisotopic Mass:
201.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| New insight into molecular interactions of imidazolium ionic liquids with bovine serum albumin. | The journal of physical chemistry. B 20111027 |
| Liquid-vapor equilibrium of the systems butylmethylimidazolium nitrate-CO2 and hydroxypropylmethylimidazolium nitrate-CO2 at high pressure: influence of water on the phase behavior. | The journal of physical chemistry. B 20081030 |
| Protein structure and dynamics in ionic liquids. Insights from molecular dynamics simulation studies. | The journal of physical chemistry. B 20080306 |
| Parametrization of 1-butyl-3-methylimidazolium hexafluorophosphate/nitrate ionic liquid for the GROMOS force field. | The journal of physical chemistry. B 20060727 |
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