chempirical

1-Ethylimidazole

C5H8N2CAS 7098-07-996.13 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C5H8N2
Molar mass
96.13 g/mol
Exact mass
96.0687 Da
Density
0.9986 g/mL (at 20 °C)
Boiling point
208 °C
logP
0.90Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
7098-07-9
SMILES
CCn1ccnc1
InChIKey
IWDFHWZHHOSSGR-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 1H-Imidazole, 1-ethyl-
  • Imidazole, 1-ethyl-
  • 1-Ethyl-1H-imidazole
  • N-Ethylimidazole

Work with 1-Ethylimidazole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Propylimidazole35203-44-260 % similar Butylimidazole4316-42-156 % similar Imidazole-1-ethanol1615-14-148 % similar 1-Allylimidazole31410-01-246 % similar 1H-Imidazole-1-propanamine5036-48-645 % similar 1-Ethyl-1H-pyrrole617-92-543 % similar 1-Benzylimidazole4238-71-543 % similar 1H-Imidazole-1-acetic acid22884-10-242 % similar

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

Same formula

2-Ethylimidazole1072-62-4 1,4-Dimethylpyrazole1072-68-0 1-Pyrrolidinecarbonitrile1530-88-7 1,2-Dimethylimidazole1739-84-0 3,4-Dimethylpyrazole2820-37-3 3,5-Dimethylpyrazole67-51-6 1,5-Dimethylpyrazole694-31-5 2,4-Dimethylimidazole930-62-1

Elsewhere

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