Trimethyl[2-[(trimethylsilyl)methyl]benzyl]ammonium Iodide - ≥98%(T) , CAS No.83781-47-9

CAS: 83781-47-9 Cat. No.: T162049 Molecular Weight: 363.36 PubChem CID: 12035585

GRADE & PURITY ≥98%(T)

Synonyms

AKOS015833270 | T2625 | DTXSID10476272 | MFCD12407129 | Trimethyl[2-[(trimethylsilyl)methyl]benzyl]ammonium Iodide | trimethyl[2-[(trimethylsilyl)methyl]benzyl]ammoniumiodide | trimethyl-[[2-(trimethylsilylmethyl)phenyl]methyl]azanium;iodide | Trimethyl[2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015833270 | T2625 | DTXSID10476272 | MFCD12407129 | Trimethyl[2-[(trimethylsilyl)methyl]benzyl]ammonium Iodide | trimethyl[2-[(trimethylsilyl)methyl]benzyl]ammoniumiodide | trimethyl-[[2-(trimethylsilylmethyl)phenyl]methyl]azanium;iodide | Trimethyl[2

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: C[N+](C)(C)CC1=CC=CC=C1C[Si](C)(C)C.[I-]
• IUPAC Name: trimethyl-[[2-(trimethylsilylmethyl)phenyl]methyl]azanium;iodide
• InChIKey: GTFSUBIVRHGESQ-UHFFFAOYSA-M
• INCHI: 1S/C14H26NSi.HI/c1-15(2,3)11-13-9-7-8-10-14(13)12-16(4,5)6;/h7-10H,11-12H2,1-6H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+](C)(C)CC1=CC=CC=C1C[Si](C)(C)C.[I-]
• PubChem CID: 12035585
• Molecular Weight: 363.36
• Reaxy-Rn: 4218969

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Alkyldimethylbenzylammonium halides

• 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 Organic metalloid salts Organic iodide salts Hydrocarbon derivatives Alkylsilanes Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyldimethylbenzylammonium halide - Benzylamine - Phenylmethylamine - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Organic metalloid salt - Amine - Organic nitrogen compound - Organic salt - Organosilicon compound - Alkylsilane - Organic iodide salt - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Organic cation - 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Molecular Weight: 363.350 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 363.088 Da
• Monoisotopic Mass: 363.088 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 212.000
• 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

XLogP3