1-Ethylimidazole
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
Hazards
Danger
- H302 Harmful if swallowed95.7% of notifiers
- H315 Causes skin irritation91.5% of notifiers
- H318 Causes serious eye damage93.6% of notifiers
- H412 Harmful to aquatic life with long lasting effects89.4% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P501
Identifiers
CAS number
7098-07-9SMILES
CCn1ccnc1InChIKey
IWDFHWZHHOSSGR-UHFFFAOYSA-NInChI
InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3Weigh 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
1,4-Bis(imidazole-L-ylmethyl)benzene56643-83-548 % similar
1-Allylimidazole31410-01-246 % similar
Imidazol-1-yl-acetonitrile98873-55-346 % similar
1H-Imidazole-1-propanamine5036-48-645 % similar
Ethyl 2-(1H-imidazol-1-yl)acetate17450-34-944 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.