benzyltriethylammonium iodide - ≥98% , CAS No.5400-94-2

CAS: 5400-94-2 Cat. No.: B134486 Peso molecular: 319.23 Número EC: 226-446-8 PubChem CID: 122756

GRADE & PURITY ≥98%

Synonyms

benzyl(triethyl)azanium;iodide | SCHEMBL239644 | triethylbenzylammonium iodide | N-Benzyl-N,N-diethylethanaminium iodide | Benzyltriethylammonium iodide | SY053821 | NSC 10409 | Benzyl triethyl ammonium iodide | HY-W013231 | benzyl(triethyl)ammonium hydro

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

benzyl(triethyl)azanium;iodide | SCHEMBL239644 | triethylbenzylammonium iodide | N-Benzyl-N, N-diethylethanaminium iodide | Benzyltriethylammonium iodide | SY053821 | NSC 10409 | Benzyl triethyl ammonium iodide | HY-W013231 | benzyl(triethyl)ammonium hydro

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187687
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187687
• Sonrisas canónicas: CC[N+](CC)(CC)CC1=CC=CC=C1.[I-]
• IUPAC Name: benzyl(triethyl)azanium;iodide
• InChIKey: JWLJBISFJGEYMT-UHFFFAOYSA-M
• INCHI: 1S/C13H22N.HI/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
• Isómeros SMILES: CC[N+](CC)(CC)CC1=CC=CC=C1.[I-]
• PubChem CID: 122756
• Peso molecular: 319.23
• Reaxy-Rn: 3918218

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Tetraalkylammonium salts Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 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 phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

• Solubilidad: Soluble in water
• Sensibilidad: Hygroscopic,light sensitive
• Punto de fusión (°C): 171 °C
• Peso molecular: 319.220 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 319.08 Da
• Monoisotopic Mass: 319.08 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 135.000
• 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

Referencias

1. Dan Li, Fu Sun, Yuqing Zhang, Yulong Liu, Hao Sun, Haiming Xie, Jia Liu, Seung-Taek Myung, Jiefang Zhu.  (2024)  Addressing redox shuttling in Li-O2 batteries: Mechanistic insights by synchrotron X–ray tomography.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.151401]