≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Sonrisas canónicas | CCCCCCCCCCCCCC=CC(C(CO)[N+](C)(C)C)O |
|---|---|
| IUPAC Name | [(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-trimethylazanium |
| InChIKey | XOKJULOVXVISRP-BWMVHVDHSA-N |
| INCHI | 1S/C21H44NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)20(19-23)22(2,3)4/h17-18,20-21,23-24H,5-16,19H2,1-4H3/q+1/b18-17+/t20-,21+/m0/s1 |
| Isómeros SMILES | CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)[N+](C)(C)C)O |
| Peso molecular | 453.677 |
| Reaxy-Rn | 24723257 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24723257&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 | Organic nitrogen compounds |
| Clase | Organonitrogen compounds |
| Subclass | Quaternary ammonium salts |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cholines |
| Alternative Parents | Tetraalkylammonium salts Secondary alcohols 1,2-aminoalcohols Primary alcohols Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Choline - Tetraalkylammonium salt - Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Amine - Alcohol - Organic cation - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation. |
| External Descriptors | Sphingoid base analogs |
| Peso molecular | 342.600 g/mol |
|---|---|
| XLogP3 | 6.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 16 |
| Exact Mass | 342.337 Da |
| Monoisotopic Mass | 342.337 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 1 |
| Complexity | 297.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
