≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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(=C)C(=O)OCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-] |
|---|---|
| IUPAC Name | 12-pyridin-1-ium-1-yldodecyl 2-methylprop-2-enoate;bromide |
| InChIKey | NGRNLZCYRVFRFP-UHFFFAOYSA-M |
| INCHI | 1S/C21H34NO2.BrH/c1-20(2)21(23)24-19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22;/h11,13-14,17-18H,1,3-10,12,15-16,19H2,2H3;1H/q+1;/p-1 |
| Isomeric SMILES | CC(=C)C(=O)OCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-] |
| PubChem CID | 9887877 |
| Molecular Weight | 412.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridinium derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinium derivatives |
| Alternative Parents | Heteroaromatic compounds Enoate esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinium - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic bromide salt - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine. |
| External Descriptors | Not available |
| Molecular Weight | 412.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 15 |
| Exact Mass | 411.177 Da |
| Monoisotopic Mass | 411.177 Da |
| Topological Polar Surface Area | 30.200 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 335.000 |
| 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 |
![Pyridinium， 1-[12-[(2-methyl-1-oxo-2-propen-1-yl)oxy]dodecyl]-， bromide (1:1) - ≥95% CAS No(148753-80-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/P/7/P769364.jpg)