Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide
2-hydroxyethyl-dimethyl-(4-oxo-4-phenylbutyl)azanium bromide
Also Known As: (3-Benzoylpropyl)(2-hydroxyethyl)dimethylammonium bromide|Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide|n-(2-hydroxyethyl)-n,n-dimethyl-4-oxo-4-phenylbutan-1-aminium bromide|2-hydroxyethyl-dimethyl-(4-oxo-4-phenylbutyl)azanium bromide
CAS: 27796-49-2
| Molecular Formula | C14H22BrNO2 |
|---|---|
| Molecular Weight | 315.0834 g/mol |
| LogP | -1.2778 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.0834 |
| Monoisotopic Mass | 315.0834 |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 27796-49-2 |
|---|---|
| SMILES | C[N+](C)(CCCC(=O)C1=CC=CC=C1)CCO.[Br-] |
| InChIKey | AOJGDSKASOUDMG-UHFFFAOYSA-M |
Product Overview
Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide (CAS 27796-49-2), with molecular formula C14H22BrNO2 and molecular weight 315.0834 g/mol. IUPAC: 2-hydroxyethyl-dimethyl-(4-oxo-4-phenylbutyl)azanium bromide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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