ethyl N-[(2-chlorophenyl)methyl]-beta-alaninate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl N-[(2-chlorophenyl)methyl]-beta-alaninate--hydrogen chloride (1/1)
ethyl N-[(2-chlorophenyl)methyl]-beta-alaninate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K783-2954 |
| Compound Name: | ethyl N-[(2-chlorophenyl)methyl]-beta-alaninate--hydrogen chloride (1/1) |
| Molecular Weight: | 278.18 |
| Molecular Formula: | C12 H16 Cl N O2 |
| Salt: | HCl |
| Smiles: | CCOC(CCNCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1332 |
| logD: | 1.5323 |
| logSw: | -2.7323 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.276 |
| InChI Key: | RNHZZWRYSBGXKW-UHFFFAOYSA-N |