ethyl N-[(3,4-dimethoxyphenyl)methyl]-beta-alaninate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl N-[(3,4-dimethoxyphenyl)methyl]-beta-alaninate--hydrogen chloride (1/1)
ethyl N-[(3,4-dimethoxyphenyl)methyl]-beta-alaninate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K783-2973 |
| Compound Name: | ethyl N-[(3,4-dimethoxyphenyl)methyl]-beta-alaninate--hydrogen chloride (1/1) |
| Molecular Weight: | 303.78 |
| Molecular Formula: | C14 H21 N O4 |
| Salt: | HCl |
| Smiles: | CCOC(CCNCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0008 |
| logD: | -1.2167 |
| logSw: | -2.0405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.537 |
| InChI Key: | BEYOHIUUBRQWQF-UHFFFAOYSA-N |