3-{[4-(2-cyanoethoxy)but-2-yn-1-yl](dimethyl)azaniumyl}propane-1-sulfonate
Chemical Structure Depiction of
3-{[4-(2-cyanoethoxy)but-2-yn-1-yl](dimethyl)azaniumyl}propane-1-sulfonate
3-{[4-(2-cyanoethoxy)but-2-yn-1-yl](dimethyl)azaniumyl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 4095-0087 |
| Compound Name: | 3-{[4-(2-cyanoethoxy)but-2-yn-1-yl](dimethyl)azaniumyl}propane-1-sulfonate |
| Molecular Weight: | 288.36 |
| Molecular Formula: | C12 H20 N2 O4 S |
| Smiles: | C[N+](C)(CCCS([O-])(=O)=O)CC#CCOCCC#N |
| Stereo: | ACHIRAL |
| logP: | -1.9763 |
| logD: | -1.9763 |
| logSw: | -0.5582 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.646 |
| InChI Key: | UNGPTOCZVXFKCB-UHFFFAOYSA-N |