4-({2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)-4-methylmorpholin-4-ium--iodide (1/1)
Chemical Structure Depiction of
4-({2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)-4-methylmorpholin-4-ium--iodide (1/1)
4-({2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)-4-methylmorpholin-4-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6228-0706 |
| Compound Name: | 4-({2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)-4-methylmorpholin-4-ium--iodide (1/1) |
| Molecular Weight: | 475.41 |
| Molecular Formula: | C21 H34 N O3 |
| Salt: | I- |
| Smiles: | CC(C)(C)c1ccc(CCC2OCC(C[N+]3(C)CCOCC3)O2)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4529 |
| logD: | 3.4529 |
| logSw: | -3.3419 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.6765 |
| InChI Key: | XGSOAQKWLVYPTJ-UHFFFAOYSA-N |