≥97%(T) 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 | CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC2=CC=CC=C2.[Br-] |
|---|---|
| IUPAC Name | 1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium;bromide |
| InChIKey | FEIYCOMNTWABLV-XMXXDQCKSA-M |
| INCHI | 1S/C31H48N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-32-28-25-31(26-29-32)24-23-30-21-18-17-19-22-30;/h17-19,21-26,28-29H,2-16,20,27H2,1H3;1H/q+1;/p-1/b24-23+; |
| Isomeric SMILES | CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)/C=C/C2=CC=CC=C2.[Br-] |
| Molecular Weight | 514.64 |
| Reaxy-Rn | 33383905 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33383905&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 | Styrenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Styrenes |
| Alternative Parents | Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Styrene - Pyridinium - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. |
| External Descriptors | Not available |
| Molecular Weight | 514.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 19 |
| Exact Mass | 513.297 Da |
| Monoisotopic Mass | 513.297 Da |
| Topological Polar Surface Area | 3.900 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 414.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
