RefChem:1079050
propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate
Also Known As: Benzoic acid, 3,5-dimethyl-4-(2-piperidinopropionamido)-, propyl ester, perchlorate, 3,5-Dimethyl-4-(2-piperidinopropionamido)benzoic acid propyl ester perchlorate, propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate, Benzoic acid, 3,5-dimethyl-4-((1-oxo-2-(1-piperidinyl)propyl)amino)-, propyl ester, perchlorate (1:1)
| Molecular Formula | C20H31ClN2O7 |
|---|---|
| Molecular Weight | 446.18198 g/mol |
| LogP | -2.49 |
| Topological Polar Surface Area | 152.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.18198 |
| Heavy Atoms | 30 |
| Complexity | 686 |
Chemical Identifiers
| CAS Number | 3095-39-4 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)C(C)[NH+]2CCCCC2)C.[O-]Cl(=O)(=O)=O |
Product Overview
RefChem:1079050 (CAS 3095-39-4), with molecular formula C20H31ClN2O7 and molecular weight 446.18198 g/mol. IUPAC: propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate.
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