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.
| Canonical Smiles | CCN(CC)CCCCCCNC1=CC(=CC2=C(C=CN=C12)C)OC.CC1=CC=C(C=C1)S(=O)(=O)O |
|---|---|
| IUPAC Name | N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine;4-methylbenzenesulfonic acid |
| InChIKey | LOBPWLFCZDGYKW-UHFFFAOYSA-N |
| INCHI | 1S/C21H33N3O.C7H8O3S/c1-5-24(6-2)14-10-8-7-9-12-22-20-16-18(25-4)15-19-17(3)11-13-23-21(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h11,13,15-16,22H,5-10,12,14H2,1-4H3;2-5H,1H3,(H,8,9,10) |
| Isomeric SMILES | CCN(CC)CCCCCCNC1=CC(=CC2=C(C=CN=C12)C)OC.CC1=CC=C(C=C1)S(=O)(=O)O |
| PubChem CID | 24769161 |
| Molecular Weight | 515.71 |
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 | Aminoquinolines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminoquinolines and derivatives |
| Alternative Parents | p-Methylbenzenesulfonates Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Methoxyanilines Anisoles Alkyl aryl ethers Secondary alkylarylamines Methylpyridines Heteroaromatic compounds Organosulfonic acids Sulfonyls Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Not available |
| Substituents | Aminoquinoline - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Methoxyaniline - Arylsulfonic acid or derivatives - Anisole - Phenol ether - Toluene - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system. |
| External Descriptors | Not available |
| Molecular Weight | 515.700 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 515.282 Da |
| Monoisotopic Mass | 515.282 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 554.000 |
| 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 |
![N,N-diethyl-N'-[4-methyl-6-(methyloxy)-8-quinolinyl]-1,6-hexanediamine 4-methylbenzenesulfonate - CAS No(1019640-33-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/9/N998562.jpg)