3-chloro-N,N-dimethyl-N-{2-oxo-2-[(prop-2-yn-1-yl)oxy]ethyl}but-2-en-1-aminium--chloride (1/1)
Chemical Structure Depiction of
3-chloro-N,N-dimethyl-N-{2-oxo-2-[(prop-2-yn-1-yl)oxy]ethyl}but-2-en-1-aminium--chloride (1/1)
3-chloro-N,N-dimethyl-N-{2-oxo-2-[(prop-2-yn-1-yl)oxy]ethyl}but-2-en-1-aminium--chloride (1/1)
Compound characteristics
| Compound ID: | 5504-0004 |
| Compound Name: | 3-chloro-N,N-dimethyl-N-{2-oxo-2-[(prop-2-yn-1-yl)oxy]ethyl}but-2-en-1-aminium--chloride (1/1) |
| Molecular Weight: | 266.16 |
| Molecular Formula: | C11 H17 Cl N O2 |
| Salt: | Cl- |
| Smiles: | C/C(=C/C[N+](C)(C)CC(=O)OCC#C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.8517 |
| logD: | 1.8517 |
| logSw: | -2.3919 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.2978 |
| InChI Key: | SHEFIUKJUIEBSD-POHAHGRESA-N |