4-{[2-(heptan-3-yl)-1,3-dioxolan-4-yl]methyl}-4-methylmorpholin-4-ium--iodide (1/1)
Chemical Structure Depiction of
4-{[2-(heptan-3-yl)-1,3-dioxolan-4-yl]methyl}-4-methylmorpholin-4-ium--iodide (1/1)
4-{[2-(heptan-3-yl)-1,3-dioxolan-4-yl]methyl}-4-methylmorpholin-4-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6228-0844 |
| Compound Name: | 4-{[2-(heptan-3-yl)-1,3-dioxolan-4-yl]methyl}-4-methylmorpholin-4-ium--iodide (1/1) |
| Molecular Weight: | 413.34 |
| Molecular Formula: | C16 H32 N O3 |
| Salt: | I- |
| Smiles: | CCCCC(CC)C1OCC(C[N+]2(C)CCOCC2)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5983 |
| logD: | 2.5983 |
| logSw: | -2.2023 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.4633 |
| InChI Key: | PFBYGNWQTPOBMO-UHFFFAOYSA-N |