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Basic Description
| Synonyms | benzyl trimethylammonium iodide | CS-W010071 | A826750 | MFCD00051859 | N,N,N-Trimethylbenzenemethanaminium iodide | AKOS016009441 | BENZYLTRIMETHYLAMMONIUM IODIDE | Benzyl-trimethylammonium iodide | Benzyldimethylamine methiodide | D94731 | FT-0622786 | |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Store at 2-8°C,Protected from light,Desiccated |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Alkyldimethylbenzylammonium halides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkyldimethylbenzylammonium halides |
| Alternative Parents | Phenylmethylamines Benzylamines Aralkylamines Tetraalkylammonium salts Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyldimethylbenzylammonium halide - Phenylmethylamine - Benzylamine - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyldimethylbenzylammonium halides. 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 halogen ion and have the general structure R1[N+](CH3)(CH3)R2.[X-], where R1 = benzyl group, R2 = alkyl chain, and X = halogen atom. |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | benzyl(trimethyl)azanium;iodide |
|---|---|
| INCHI | InChI=1S/C10H16N.HI/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1 |
| InChIKey | LRRJQNMXIDXNIM-UHFFFAOYSA-M |
| Smiles | C[N+](C)(C)CC1=CC=CC=C1.[I-] |
| Isomeric SMILES | C[N+](C)(C)CC1=CC=CC=C1.[I-] |
| PubChem CID | 20619 |
| Molecular Weight | 277.15 |
| Beilstein | 3917007 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2507126 |
Certificate of Analysis | Sep 18, 2023 | N589160 |
| J2318453 |
Certificate of Analysis | Sep 18, 2023 | N589160 |
| J2318452 |
Certificate of Analysis | Sep 18, 2023 | N589160 |
| J2318837 |
Certificate of Analysis | Sep 18, 2023 | N589160 |
Chemical and Physical Properties
| Molecular Weight | 277.140 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 277.033 Da |
| Monoisotopic Mass | 277.033 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 107.000 |
| 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 |
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