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 |