N,N-diethyl-3,3-dimethyl-2-oxo-N-(3-phenylprop-2-yn-1-yl)butan-1-aminium--bromide (1/1)
Chemical Structure Depiction of
N,N-diethyl-3,3-dimethyl-2-oxo-N-(3-phenylprop-2-yn-1-yl)butan-1-aminium--bromide (1/1)
N,N-diethyl-3,3-dimethyl-2-oxo-N-(3-phenylprop-2-yn-1-yl)butan-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | 5504-0099 |
| Compound Name: | N,N-diethyl-3,3-dimethyl-2-oxo-N-(3-phenylprop-2-yn-1-yl)butan-1-aminium--bromide (1/1) |
| Molecular Weight: | 366.34 |
| Molecular Formula: | C19 H28 N O |
| Salt: | Br- |
| Smiles: | CC[N+](CC)(CC#Cc1ccccc1)CC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3293 |
| logD: | 4.3293 |
| logSw: | -4.2677 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 13.722 |
| InChI Key: | ZZROHSCGNUTJJE-UHFFFAOYSA-N |