4-carbamoyl-1-(3,3-dimethylbutyl)pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
4-carbamoyl-1-(3,3-dimethylbutyl)pyridin-1-ium--bromide (1/1)
4-carbamoyl-1-(3,3-dimethylbutyl)pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0173-0027 |
| Compound Name: | 4-carbamoyl-1-(3,3-dimethylbutyl)pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 287.2 |
| Molecular Formula: | C12 H19 N2 O |
| Salt: | Br- |
| Smiles: | CC(C)(C)CC[n+]1ccc(cc1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6843 |
| logD: | 1.6843 |
| logSw: | -1.7893 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.34 |
| InChI Key: | PSYSGYLLZMXINY-UHFFFAOYSA-O |