≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)NC1=CC=C(C=C1)OCC[N+](C)(C)C.[Br-] |
|---|---|
| IUPAC Name | 2-(4-acetamidophenoxy)ethyl-trimethylazanium;bromide |
| InChIKey | ILIOGBREUGCWHZ-UHFFFAOYSA-N |
| INCHI | 1S/C13H20N2O2.BrH/c1-11(16)14-12-5-7-13(8-6-12)17-10-9-15(2,3)4;/h5-8H,9-10H2,1-4H3;1H |
| Isomeric SMILES | CC(=O)NC1=CC=C(C=C1)OCC[N+](C)(C)C.[Br-] |
| Molecular Weight | 317.22 |
| Reaxy-Rn | 3782065 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3782065&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetanilides |
| Alternative Parents | N-acetylarylamines Phenoxy compounds Phenol ethers Cholines Alkyl aryl ethers Tetraalkylammonium salts Acetamides Secondary carboxylic acid amides Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Amines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acetanilide - N-acetylarylamine - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Choline - Tetraalkylammonium salt - Acetamide - Quaternary ammonium salt - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic bromide salt - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 317.220 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 316.079 Da |
| Monoisotopic Mass | 316.079 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
