Choline, iodide, 2-phenylbutyrate (ester)
trimethyl-[2-(2-phenylbutanoyloxy)ethyl]azanium iodide
Also Known As: PEAC|Choline, iodide, 2-phenylbutyrate (ester)|Iodure de N-(phenyl-2-ethyl-2-acetylcholine)|Iodure de N-(phenyl-2-ethyl-2-acetylcholine) [French]|trimethyl-[2-(2-phenylbutanoyloxy)ethyl]azanium iodide|N,N,N-Trimethyl-2-[(2-phenylbutanoyl)oxy]ethan-1-aminium iodide
CAS: 3482-90-4
| Molecular Formula | C15H24INO2 |
|---|---|
| Molecular Weight | 377.08517 g/mol |
| LogP | -0.5664 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.08517 |
| Monoisotopic Mass | 377.08517 |
| Heavy Atoms | 19 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 3482-90-4 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)OCC[N+](C)(C)C.[I-] |
| InChIKey | WEHBLBNUZNADNR-UHFFFAOYSA-M |
Product Overview
Choline, iodide, 2-phenylbutyrate (ester) (CAS 3482-90-4), with molecular formula C15H24INO2 and molecular weight 377.08517 g/mol. IUPAC: trimethyl-[2-(2-phenylbutanoyloxy)ethyl]azanium iodide.
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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