1-(3,3-dimethylbutyl)-4-[(hydroxyimino)methyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(3,3-dimethylbutyl)-4-[(hydroxyimino)methyl]pyridin-1-ium--bromide (1/1)
1-(3,3-dimethylbutyl)-4-[(hydroxyimino)methyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0173-0043 |
| Compound Name: | 1-(3,3-dimethylbutyl)-4-[(hydroxyimino)methyl]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(/C=N/O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7411 |
| logD: | 2.7407 |
| logSw: | -2.5024 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.296 |
| InChI Key: | MZCHPTKVTLUHJN-UHFFFAOYSA-O |