1-[2-(tert-butylamino)-2-oxoethyl]-3-carbamoylpyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[2-(tert-butylamino)-2-oxoethyl]-3-carbamoylpyridin-1-ium--chloride (1/1)
1-[2-(tert-butylamino)-2-oxoethyl]-3-carbamoylpyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 0173-0029 |
| Compound Name: | 1-[2-(tert-butylamino)-2-oxoethyl]-3-carbamoylpyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 271.74 |
| Molecular Formula: | C12 H18 N3 O2 |
| Salt: | Cl- |
| Smiles: | CC(C)(C)NC(C[n+]1cccc(c1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4798 |
| logD: | 0.4798 |
| logSw: | -1.7426 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.55 |
| InChI Key: | XNUBUMSPTVVAAG-UHFFFAOYSA-O |