≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature,Argon charged 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 | CC(C)CC[N+]1=CC=CC2=CC=CC=C21.[I-] |
|---|---|
| IUPAC Name | 1-(3-methylbutyl)quinolin-1-ium;iodide |
| InChIKey | JAHQMMYIQANKBZ-UHFFFAOYSA-M |
| INCHI | 1S/C14H18N.HI/c1-12(2)9-11-15-10-5-7-13-6-3-4-8-14(13)15;/h3-8,10,12H,9,11H2,1-2H3;1H/q+1;/p-1 |
| Isomeric SMILES | CC(C)CC[N+]1=CC=CC2=CC=CC=C21.[I-] |
| PubChem CID | 6097044 |
| Molecular Weight | 327.21 |
| Reaxy-Rn | 3753485 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinolines and derivatives |
| Alternative Parents | Pyridinium derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline - Benzenoid - Pyridinium - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
| External Descriptors | Not available |
| Sensitivity | Light sensitive |
|---|---|
| Melt Point(°C) | 184 °C |
| Molecular Weight | 327.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 327.048 Da |
| Monoisotopic Mass | 327.048 Da |
| Topological Polar Surface Area | 3.900 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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 |
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