N-(but-2-yn-1-yl)-N-methyl-N-(2-oxo-2-phenylethyl)but-2-yn-1-aminium--bromide (1/1)
Chemical Structure Depiction of
N-(but-2-yn-1-yl)-N-methyl-N-(2-oxo-2-phenylethyl)but-2-yn-1-aminium--bromide (1/1)
N-(but-2-yn-1-yl)-N-methyl-N-(2-oxo-2-phenylethyl)but-2-yn-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | 5504-0042 |
| Compound Name: | N-(but-2-yn-1-yl)-N-methyl-N-(2-oxo-2-phenylethyl)but-2-yn-1-aminium--bromide (1/1) |
| Molecular Weight: | 334.25 |
| Molecular Formula: | C17 H20 N O |
| Salt: | Br- |
| Smiles: | CC#CC[N+](C)(CC#CC)CC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5958 |
| logD: | 2.5958 |
| logSw: | -2.6732 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 14.2053 |
| InChI Key: | YSYRZCSMPHLNBR-UHFFFAOYSA-N |