1-(cyanomethyl)-3-methyl-1H-imidazol-3-ium--chloride (1/1)
Chemical Structure Depiction of
1-(cyanomethyl)-3-methyl-1H-imidazol-3-ium--chloride (1/1)
1-(cyanomethyl)-3-methyl-1H-imidazol-3-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 1273-0054 |
| Compound Name: | 1-(cyanomethyl)-3-methyl-1H-imidazol-3-ium--chloride (1/1) |
| Molecular Weight: | 157.6 |
| Molecular Formula: | C6 H8 N3 |
| Salt: | Cl- |
| Smiles: | C[n+]1ccn(CC#N)c1 |
| Stereo: | ACHIRAL |
| logP: | -0.3039 |
| logD: | -0.3039 |
| logSw: | 0.2302 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 25.1205 |
| InChI Key: | XQPYWRYOADEREX-UHFFFAOYSA-N |