Name: Name:1H-Imidazolium, 3-butyl-1-methyl-, nitrate (1:1)
Brand: Angene
SKU: AG0026S0
Rating: 90 (10 reviews)

1H-Imidazolium, 3-butyl-1-methyl-, nitrate (1:1)

CAS No.:

179075-88-8

Catalog Number:

AG0026S0

Molecular Formula:

C8H17N3O3

Molecular Weight:

203.2389

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

201.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

201.226g/mol

Monoisotopic Mass:

201.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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

Properties