| Canonical Smiles | CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.O.O.[Cl-] |
|---|---|
| IUPAC Name | benzyl-dimethyl-tetradecylazanium;chloride;dihydrate |
| InChIKey | YLPZVNXGKBIJBW-UHFFFAOYSA-M |
| INCHI | 1S/C23H42N.ClH.2H2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;;;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H;2*1H2/q+1;;;/p-1 |
| Isomeric SMILES | CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.O.O.[Cl-] |
| WGK Germany | 2 |
| Molecular Weight | 404.07 |
| Beilstein | 4062600 |
| Reaxy-Rn | 14769605 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14769605&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 | Alkyldimethylbenzylammonium halides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkyldimethylbenzylammonium chlorides |
| Alternative Parents | Phenylmethylamines Benzylamines Aralkylamines Tetraalkylammonium salts Organopnictogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyldimethylbenzylammonium chloride - Benzylamine - Phenylmethylamine - Aralkylamine - Quaternary ammonium salt - Tetraalkylammonium salt - Amine - Hydrocarbon derivative - Organic chloride salt - Organic oxide - Organic salt - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyldimethylbenzylammonium chlorides. These are organic compounds consisting of a quaternary ammonium group substituted with a benzyl group, two methyl groups as well as an alkyl chain. These compounds also contain a chlorine ion and have the general structure R1[N+](CH3)(CH3)R2.[Cl-], where R1 = benzyl group and R2 = alkyl chain. |
| 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 |
|---|---|---|---|
 C2603083 | Certificate of Analysis | Mar 12, 2026 | B167374 |
| L2121318 | Certificate of Analysis | Oct 17, 2025 | B167374 |
| L2121319 | Certificate of Analysis | Oct 17, 2025 | B167374 |
| L2121320 | Certificate of Analysis | Oct 17, 2025 | B167374 |
| L2121321 | Certificate of Analysis | Oct 17, 2025 | B167374 |
| L2121322 | Certificate of Analysis | Oct 17, 2025 | B167374 |
| E2008128 | Certificate of Analysis | Feb 05, 2024 | B167374 |
| Melt Point(°C) | 63-65 °C |
|---|---|
| Molecular Weight | 404.100 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 15 |
| Exact Mass | 403.322 Da |
| Monoisotopic Mass | 403.322 Da |
| Topological Polar Surface Area | 2.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 265.000 |
| 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 | 4 |
| 1. Ziyue Ling, Chunji Jiang, Xianda Liu, Yupei Li, Weifeng Zhao, Changsheng Zhao. (2023) Histidine-inspired polyacrylonitrile-based adsorbent with excellent hemocompatibility for the simultaneous removal of bacteria and endotoxin in septic blood. COMPOSITES PART B-ENGINEERING, [PMID:] [10.1016/j.compositesb.2023.110994] |
