Benzyltrimethylammonium iodide - ≥95% , CAS No.4525-46-6

CAS: 4525-46-6 Cat. No.: N589160 Peso molecular: 277.15 Beilstein Registry Number: 3917007 Número EC: 224-861-9 PubChem CID: 20619

GRADE & PURITY ≥95%

Synonyms

benzyl trimethylammonium iodide | A826750 | MFCD00051859 | N,N,N-Trimethylbenzenemethanaminium iodide | AKOS016009441 | BENZYLTRIMETHYLAMMONIUM IODIDE | Benzyl-trimethylammonium iodide | Benzyldimethylamine methiodide | D94731 | FT-0622786 | NSC31974 | Be

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

benzyl trimethylammonium iodide | A826750 | MFCD00051859 | N, N, N-Trimethylbenzenemethanaminium iodide | AKOS016009441 | BENZYLTRIMETHYLAMMONIUM IODIDE | Benzyl-trimethylammonium iodide | Benzyldimethylamine methiodide | D94731 | FT-0622786 | NSC31974 | Be

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C[N+](C)(C)CC1=CC=CC=C1.[I-]
• IUPAC Name: benzyl(trimethyl)azanium;iodide
• InChIKey: LRRJQNMXIDXNIM-UHFFFAOYSA-M
• 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
• Isómeros SMILES: C[N+](C)(C)CC1=CC=CC=C1.[I-]
• PubChem CID: 20619
• Peso molecular: 277.15
• Beilstein: 3917007

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 277.140 g/mol
• 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

XLogP3