≥98% 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.
| Pubchem Sid | 488195779 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195779 |
| Canonical Smiles | CC(C)CCN1C=CC(=CC2=CC=[N+](C3=CC=CC=C23)CCC(C)C)C4=CC=CC=C41.[I-] |
| IUPAC Name | (4E)-1-(3-methylbutyl)-4-[[1-(3-methylbutyl)quinolin-1-ium-4-yl]methylidene]quinoline;iodide |
| InChIKey | QGKMIGUHVLGJBR-UHFFFAOYSA-M |
| INCHI | 1S/C29H35N2.HI/c1-22(2)13-17-30-19-15-24(26-9-5-7-11-28(26)30)21-25-16-20-31(18-14-23(3)4)29-12-8-6-10-27(25)29;/h5-12,15-16,19-23H,13-14,17-18H2,1-4H3;1H/q+1;/p-1 |
| Isomeric SMILES | CC(C)CCN1C=C/C(=C\C2=CC=[N+](C3=CC=CC=C23)CCC(C)C)/C4=CC=CC=C41.[I-] |
| PubChem CID | 6436083 |
| Molecular Weight | 538.52 |
| Reaxy-Rn | 14971731 |
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 | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Hydroquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolines |
| Alternative Parents | Pyridinium derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroquinoline - Benzenoid - Pyridinium - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D23141314 | Certificate of Analysis | Mar 07, 2023 | C153788 |
| D23141317 | Certificate of Analysis | Mar 07, 2023 | C153788 |
| D23141318 | Certificate of Analysis | Mar 07, 2023 | C153788 |
| D23141321 | Certificate of Analysis | Mar 07, 2023 | C153788 |
| L1818194 | Certificate of Analysis | Oct 17, 2022 | C153788 |
| L1818193 | Certificate of Analysis | Oct 17, 2022 | C153788 |
| Molecular Weight | 538.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 538.184 Da |
| Monoisotopic Mass | 538.184 Da |
| Topological Polar Surface Area | 7.100 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 566.000 |
| 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 |
