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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCCl)C)C.[Cl-] |
|---|---|
| IUPAC Name | N-(2-chloroethyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride |
| InChIKey | ZTBANYZVKCGOKD-UHFFFAOYSA-M |
| INCHI | 1S/C22H26ClN2.ClH/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;/h5-14H,15-16H2,1-4H3;1H/q+1;/p-1 |
| Isomeric SMILES | CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCCl)C)C.[Cl-] |
| Molecular Weight | 389.36 |
| Reaxy-Rn | 4076121 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4076121&ln= |
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 | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-alkylindoles |
| Alternative Parents | Styrenes Dialkylarylamines Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-alkylindole - Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl chloride - Organonitrogen compound - Organochloride - Organohalogen compound - Organic chloride salt - Organic salt - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position. |
| 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 |
|---|---|---|---|
 I2526216 | Certificate of Analysis | Jul 30, 2025 | A353936 |
| I2526217 | Certificate of Analysis | Jul 30, 2025 | A353936 |
| I2526218 | Certificate of Analysis | Jul 30, 2025 | A353936 |
| I2509183 | Certificate of Analysis | Jul 17, 2025 | A353936 |
| H2430576 | Certificate of Analysis | Aug 23, 2024 | A353936 |
| H2430577 | Certificate of Analysis | Aug 23, 2024 | A353936 |
| F2414342 | Certificate of Analysis | Jun 03, 2024 | A353936 |
| F2414343 | Certificate of Analysis | Jun 03, 2024 | A353936 |
| F2414344 | Certificate of Analysis | Jun 03, 2024 | A353936 |
| F2414349 | Certificate of Analysis | Jun 03, 2024 | A353936 |
| F2414350 | Certificate of Analysis | Jun 03, 2024 | A353936 |
| Molecular Weight | 389.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 388.147 Da |
| Monoisotopic Mass | 388.147 Da |
| Topological Polar Surface Area | 6.300 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 514.000 |
| 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 |
| 1. Hongmei Liu, Boyue Zheng, Zhengxue Ge, Mengyun Liu, Caihong Tao, Fangbin Fan. (2025) The application of dual-function ionic liquids-hydrogel in the bidirectional non-interference effect of benzoylurea insecticides extraction and dye degradation. Materials Today Chemistry, [PMID:] [10.1016/j.mtchem.2025.103112] |
| 2. Ruixue Meng, Yuan Li, Jiawei Peng, Huanhuan Guo, Yanhui Li, Long Chen. (2025) Conjugated cationic dye modulates the ion-confined partitioning of anions/cations in graphene membrane to enhance seawater desalination. DESALINATION, [PMID:] [10.1016/j.desal.2025.119825] |
