4-amino-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)butanoic acid--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-amino-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)butanoic acid--hydrogen chloride (1/1)
4-amino-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)butanoic acid--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8020-4787 |
| Compound Name: | 4-amino-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)butanoic acid--hydrogen chloride (1/1) |
| Molecular Weight: | 319.74 |
| Molecular Formula: | C13 H17 N O6 |
| Salt: | HCl |
| Smiles: | COc1cc(C(CC(O)=O)CN)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.1546 |
| logD: | -1.1546 |
| logSw: | -0.599 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.114 |
| InChI Key: | LNYUAJWFOREPCG-ZETCQYMHSA-N |