chempirical

1-Ethyl-3-methylimidazolium nitrate

C6H11N3O3CAS 143314-14-1173.17 g/mol

Open in Covalent MOL file
NN+N+OO−O−
Nitro

Properties

Molecular formula
C6H11N3O3
Molar mass
173.17 g/mol
Exact mass
173.0800 Da
logP
0.09Crippen estimate
Polar surface area
75.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Oxidizer (GHS03)Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P220, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number
143314-14-1
SMILES
CCN1C=C[N+](=C1)C.[N+](=O)([O-])[O-]
InChIKey
JDOJFSVGXRJFLL-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N2.NO3/c1-3-8-5-4-7(2)6-8;2-1(3)4/h4-6H,3H2,1-2H3;/q+1;-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Ethyl-3-methylimidazolium nitrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Ethyl-3-methylimidazolium chloride65039-09-0Salt 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-2Salt 1-Ethyl-3-methylimidazolium ethylsulfate342573-75-5Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt 1-Ethyl-3-methylimidazolium acetate143314-17-4Salt 1-Ethyl-3-methylimidazolium dicyanamide370865-89-7Salt 1-Ethyl-3-methylimidazolium bromide65039-08-9Salt 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-3Salt 1-Methylimidazole ethiodide35935-34-3Salt 1-Ethyl-3-methylimidazolium diethylphosphate848641-69-0Salt 1-Ethyl-3-methylimidazolium hexafluorophosphate155371-19-0Salt 1-Ethyl-3-methylimidazolium P-toluenesulfonate328090-25-1Salt

Similar compounds

1-Butyl-3-methylimidazolium nitrate179075-88-868 % similar 1-Methyl-3-propylimidazolium iodide119171-18-544 % similar 1-Propyl-3-methylimidazolium bromide85100-76-144 % similar 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-642 % similar 1-Butyl-3-methylimidazolium iodide65039-05-641 % similar 1-Butyl-3-methylimidazolium chloride79917-90-141 % similar 1-Butyl-3-methylimidazolium bromide85100-77-241 % similar 1-Butyl-3-methylimidazolium acetate284049-75-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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