3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-dimethylbut-2-en-1-aminium--bromide (1/1)
Chemical Structure Depiction of
3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-dimethylbut-2-en-1-aminium--bromide (1/1)
3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-dimethylbut-2-en-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | 5504-0074 |
| Compound Name: | 3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-dimethylbut-2-en-1-aminium--bromide (1/1) |
| Molecular Weight: | 367.11 |
| Molecular Formula: | C14 H18 Cl2 N O |
| Salt: | Br- |
| Smiles: | C/C(=C\C[N+](C)(C)CC(c1ccc(cc1)[Cl])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4088 |
| logD: | 3.4088 |
| logSw: | -3.8842 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 13.8204 |
| InChI Key: | HSXTUNIGKAIZAJ-DHZHZOJOSA-N |