1-butyl 4-(2-methylpropyl) 3-phenylaspartate--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-butyl 4-(2-methylpropyl) 3-phenylaspartate--hydrogen chloride (1/1)
1-butyl 4-(2-methylpropyl) 3-phenylaspartate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8005-5653 |
| Compound Name: | 1-butyl 4-(2-methylpropyl) 3-phenylaspartate--hydrogen chloride (1/1) |
| Molecular Weight: | 357.88 |
| Molecular Formula: | C18 H27 N O4 |
| Salt: | HCl |
| Smiles: | CCCCOC(C(C(C(=O)OCC(C)C)c1ccccc1)N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7189 |
| logD: | 2.6933 |
| logSw: | -2.8664 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.383 |
| InChI Key: | MSORPOWYFYXEMV-UHFFFAOYSA-N |