for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| ALogP | 0.5 |
|---|
| Canonical Smiles | CC(C(=O)OCC[N+](C)(C)C)OC(=O)C |
|---|---|
| IUPAC Name | 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium |
| InChIKey | SRZGFCNCQUMTCP-UHFFFAOYSA-N |
| INCHI | 1S/C10H20NO4/c1-8(15-9(2)12)10(13)14-7-6-11(3,4)5/h8H,6-7H2,1-5H3/q+1 |
| Isomeric SMILES | CC(C(=O)OCC[N+](C)(C)C)OC(=O)C |
| Molecular Weight | 218.27 |
| Reaxy-Rn | 4138068 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4138068&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid esters Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acyl choline - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Carboxylic acid ester - 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 | Not available |
| Molecular Weight | 218.270 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 218.139 Da |
| Monoisotopic Mass | 218.139 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 1 |
| Complexity | 232.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
