≥95% 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.
| Sonrisas canónicas | CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCCC(=O)O.[Br-] |
|---|---|
| IUPAC Name | 6-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)hexanoic acid;bromide |
| InChIKey | XSXHHAQBMIWSEH-UHFFFAOYSA-N |
| INCHI | 1S/C21H25NO2.BrH/c1-15-21(2,3)20-17-10-7-6-9-16(17)12-13-18(20)22(15)14-8-4-5-11-19(23)24;/h6-7,9-10,12-13H,4-5,8,11,14H2,1-3H3;1H |
| Isómeros SMILES | CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCCC(=O)O.[Br-] |
| CAS alternativo | 171429-39-3 |
| PubChem CID | 10862344 |
| Peso molecular | 404.3 |
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 |
| Clase | Naphthalenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | 3-alkylindoles Medium-chain fatty acids Heterocyclic fatty acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthalene - 3-alkylindole - Indole or derivatives - Medium-chain fatty acid - Heterocyclic fatty acid - Fatty acid - Fatty acyl - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic bromide salt - Organic cation - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
| External Descriptors | Not available |
| Peso molecular | 404.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 403.115 Da |
| Monoisotopic Mass | 403.115 Da |
| Topological Polar Surface Area | 40.300 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 508.000 |
| 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 |
![3-(5-Carboxypentyl)-1,1,2-trimethyl-1H-benzo[e]indol-3-ium bromide - ≥95% , CAS No.171429-39-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)