chempirical

1-Ethyl-3-methylimidazolium dicyanamide

C8H11N5CAS 370865-89-7177.21 g/mol

Open in Covalent MOL file
NN+NN−N
Nitrile

Properties

Molecular formula
C8H11N5
Molar mass
177.21 g/mol
Exact mass
177.1014 Da
Density
1.08 g/mL (at 20 °C)
Melting point
−12 °C
logP
0.65Crippen estimate
Polar surface area
70.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
370865-89-7
SMILES
CCn1cc[n+](C)c1.N#C[N-]C#N
InChIKey
MKHFCTXNDRMIDR-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N2.C2N3/c1-3-8-5-4-7(2)6-8;3-1-5-2-4/h4-6H,3H2,1-2H3;/q+1;-1

Weigh it out

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

Names and synonyms

10 names
  • 1-Ethyl-3-methylimidazolium dicyanimide
  • 1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
  • 1H-Imidazolium, 1-ethyl-3-methyl-, salt with cyanocyanamide (1:1)
  • Cyanamide, cyano-, ion(1-), 1-ethyl-3-methyl-1H-imidazolium
  • 1-Ethyl-3-methylimidazolium dicyanoamide
  • 1-Methyl-3-ethylimidazolium dicyanamide
  • Basionics VS 03
  • Ethylmethylimidazolium dicyanamide
  • 1-Ethyl-3-methylimidazolium dicyanamide(1-)
  • VS 03

Work with 1-Ethyl-3-methylimidazolium dicyanamide

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

Similar compounds

1-Methylimidazole ethiodide35935-34-364 % similar 1-Ethyl-3-methylimidazolium bromide65039-08-964 % similar 1-Ethyl-3-methylimidazolium chloride65039-09-064 % similar 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-360 % similar 1-Ethyl-3-methylimidazolium acetate143314-17-451 % similar 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-250 % similar 1-Ethyl-3-methylimidazolium ethylsulfate342573-75-550 % similar 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-247 % similar

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

Same formula

Phenylbiguanide102-02-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook