3-hexadecyl-1-(2-oxopropyl)-1H-imidazol-3-ium--bromide (1/1)
Chemical Structure Depiction of
3-hexadecyl-1-(2-oxopropyl)-1H-imidazol-3-ium--bromide (1/1)
3-hexadecyl-1-(2-oxopropyl)-1H-imidazol-3-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 1273-0057 |
| Compound Name: | 3-hexadecyl-1-(2-oxopropyl)-1H-imidazol-3-ium--bromide (1/1) |
| Molecular Weight: | 429.48 |
| Molecular Formula: | C22 H41 N2 O |
| Salt: | Br- |
| Smiles: | CCCCCCCCCCCCCCCC[n+]1ccn(CC(C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.3818 |
| logD: | 7.3818 |
| logSw: | -5.7055 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 20.6621 |
| InChI Key: | DBVXTXHHEDGFQV-UHFFFAOYSA-N |