1-(cyanomethyl)-3-hexadecyl-1H-imidazol-3-ium--chloride (1/1)
Chemical Structure Depiction of
1-(cyanomethyl)-3-hexadecyl-1H-imidazol-3-ium--chloride (1/1)
1-(cyanomethyl)-3-hexadecyl-1H-imidazol-3-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 1273-0055 |
| Compound Name: | 1-(cyanomethyl)-3-hexadecyl-1H-imidazol-3-ium--chloride (1/1) |
| Molecular Weight: | 368.01 |
| Molecular Formula: | C21 H38 N3 |
| Salt: | Cl- |
| Smiles: | CCCCCCCCCCCCCCCC[n+]1ccn(CC#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.4333 |
| logD: | 7.4333 |
| logSw: | -6.1847 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 24.7972 |
| InChI Key: | SWDHLIRBKKMJAB-UHFFFAOYSA-N |