Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Argon charged,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 27 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)OCC[N+](C)(C)C |
|---|---|
| IUPAC Name | 2-acetyloxyethyl(trimethyl)azanium |
| InChIKey | OIPILFWXSMYKGL-UHFFFAOYSA-N |
| INCHI | 1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 |
| Isomeric SMILES | CC(=O)OCC[N+](C)(C)C |
| Alternate CAS | 51-84-3;14047-05-3;927-86-6 (perchlorate) |
| PubChem CID | 187 |
| MeSH Entry Terms | 2-(Acetyloxy)-N,N,N-trimethylethanaminium;Acetilcolina Cusi;Acetylcholine;Acetylcholine Bromide;Acetylcholine Chloride;Acetylcholine Fluoride;Acetylcholine Hydroxide;Acetylcholine Iodide;Acetylcholine L Tartrate;Acetylcholine L-Tartrate;Acetylcholine Perc |
| Molecular Weight | 146.21 |
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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Quaternary ammonium salts |
| Intermediate Tree Nodes | Cholines |
| Direct Parent | Acyl cholines |
| Alternative Parents | Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acyl choline - Tetraalkylammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Amine - Organic cation - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH. |
| External Descriptors | a small molecule |
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| Sensitivity | Light and moisture sensitive |
|---|---|
| Molecular Weight | 146.210 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 146.118 Da |
| Monoisotopic Mass | 146.118 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 1 |
| Complexity | 115.000 |
| 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 | 1 |
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