N,N-dimethyl-N-{2-oxo-2-[(prop-2-yn-1-yl)oxy]ethyl}-3-phenylprop-2-yn-1-aminium--chloride (1/1)
Chemical Structure Depiction of
N,N-dimethyl-N-{2-oxo-2-[(prop-2-yn-1-yl)oxy]ethyl}-3-phenylprop-2-yn-1-aminium--chloride (1/1)
N,N-dimethyl-N-{2-oxo-2-[(prop-2-yn-1-yl)oxy]ethyl}-3-phenylprop-2-yn-1-aminium--chloride (1/1)
Compound characteristics
| Compound ID: | 5504-0003 |
| Compound Name: | N,N-dimethyl-N-{2-oxo-2-[(prop-2-yn-1-yl)oxy]ethyl}-3-phenylprop-2-yn-1-aminium--chloride (1/1) |
| Molecular Weight: | 291.78 |
| Molecular Formula: | C16 H18 N O2 |
| Salt: | Cl- |
| Smiles: | C[N+](C)(CC#Cc1ccccc1)CC(=O)OCC#C |
| Stereo: | ACHIRAL |
| logP: | 2.5766 |
| logD: | 2.5766 |
| logSw: | -2.5329 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.0263 |
| InChI Key: | DCMGFIWOKHBDPG-UHFFFAOYSA-N |