for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Application
[4-[[4-(Dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium;dichloride is used in the preparation of pyrazolopyridines derivatives with potential antimicrobial effectiveness against S. aureus, B. cereus, E. coli and P. aeruginosa.
| Pubchem Sid | 504751159 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751159 |
| Canonical Smiles | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)[N+](C)(C)C.[Cl-].[Cl-] |
| IUPAC Name | [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium;dichloride |
| InChIKey | DWCZIOOZPIDHAB-UHFFFAOYSA-L |
| INCHI | 1S/C26H33N3.2ClH/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;;/h8-19H,1-7H3;2*1H/q+2;;/p-2 |
| Isomeric SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)[N+](C)(C)C.[Cl-].[Cl-] |
| Molecular Weight | 458.47 |
| Reaxy-Rn | 5208063 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5208063&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Dialkylarylamines Aniline and substituted anilines Secondary ketimines Quaternary ammonium salts Azomethines Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Azomethine - Quaternary ammonium salt - Secondary ketimine - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | organic chloride salt - quaternary ammonium salt - iminium salt |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2616795 | Certificate of Analysis | Mar 07, 2026 | M304732 |
| C2616816 | Certificate of Analysis | Mar 07, 2026 | M304732 |
| C2301644 | Certificate of Analysis | Dec 12, 2025 | M304732 |
| J2515526 | Certificate of Analysis | Oct 11, 2025 | M304732 |
| J2515527 | Certificate of Analysis | Oct 11, 2025 | M304732 |
| E2509380 | Certificate of Analysis | Apr 26, 2025 | M304732 |
| E2515721 | Certificate of Analysis | Apr 26, 2025 | M304732 |
| D2403351 | Certificate of Analysis | Feb 20, 2024 | M304732 |
| D2403350 | Certificate of Analysis | Feb 19, 2024 | M304732 |
| C2301879 | Certificate of Analysis | Feb 13, 2023 | M304732 |
| J2318793 | Certificate of Analysis | Feb 13, 2023 | M304732 |
| Solubility | Soluble in water; Insoluble in Ethanol |
|---|---|
| Sensitivity | Hygroscopic |
| Molecular Weight | 458.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 457.205 Da |
| Monoisotopic Mass | 457.205 Da |
| Topological Polar Surface Area | 6.300 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 625.000 |
| 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 | 3 |
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| 7. Yi Yang, Jing Meng, Haoquan Li, Dongyu Gu, Shuai Wang, Shuai He, Haiyu Xu, Yoichiro Ito. (2020) Elution-extrusion and back-extrusion counter-current chromatography using three-phase solvent system for separation of organic dye mixture. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2020.117024] |
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