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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 | CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)O)C(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)O |
|---|---|
| IUPAC Name | 4-[(4-methylphenyl)sulfonyl-[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]amino]butanoic acid |
| InChIKey | VYTOBATYLKBDAR-UHFFFAOYSA-O |
| INCHI | 1S/C28H28N2O8S2/c1-20-13-15-21(16-14-20)40(37,38)30(18-6-12-26(31)32)28(33)27-22-8-2-4-10-24(22)29(17-7-19-39(34,35)36)25-11-5-3-9-23(25)27/h2-5,8-11,13-16H,6-7,12,17-19H2,1H3,(H-,31,32,34,35,36)/p+1 |
| Molecular Weight | 585.7 |
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 | Benzoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acridines |
| Alternative Parents | Quinoline carboxamides Tosyl compounds Benzenesulfonamides Pyridinecarboxylic acids and derivatives Benzenesulfonyl compounds Pyridinium derivatives Alkanesulfonic acids Aminosulfonyl compounds Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Acridine - Quinoline-4-carboxamide - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Pyridine carboxylic acid or derivatives - Toluene - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Aminosulfonyl compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring. |
| External Descriptors | Not available |
| Molecular Weight | 585.700 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 585.137 Da |
| Monoisotopic Mass | 585.137 Da |
| Topological Polar Surface Area | 167.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 1 |
| Complexity | 1070.000 |
| 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 | 1 |
![Acridinium, 9-[[(3-carboxypropyl)[(4-methylphenyl)sulfonyl]amino]carbonyl]-10-(3-sulfopropyl)-, inner salt , CAS No.15348932](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)