HuagongsheHuagongshe Chemistry Print Report · For research reference only
ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate
Identifiers & Physical Properties
| CAS No. | 67044-05-7 |
|---|---|
| Molecular formula | C14H21NO4 |
| Average molar mass | 267.32 g/mol |
| Monoisotopic mass | 267.14705815 g/mol |
| SMILES | CCOC(=O)CCNCc1ccc(OC)c(OC)c1 |
| InChIKey | BEYOHIUUBRQWQF-UHFFFAOYSA-N |
| PubChem CID | 1908440 |
| ChEMBL | CHEMBL1620284 |
| DTXSID | DTXSID601214713 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 56.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 9 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 260 |