Bromuro de benciltrietilamonio - ≥98% , CAS No.5197-95-5

CAS: 5197-95-5 Cat. No.: B109084 Peso molecular: 272.22 Beilstein Registry Number: 3739113 Número EC: 225-986-1

GRADE & PURITY ≥98%

Synonyms

BTEAB | Acetic acid, 2-chloro-2-oxo-, ethyl ester | AKOS015833013 | F11252 | triethylbenzylammoniumbromide | AC-20118 | DTXSID20966295 | benzyl triethylammonium bromide | CHQVQXZFZHACQQ-UHFFFAOYSA-M | AKOS015888365 | D84178 | BENZENEMETHANAMINIUM, N,N,N-T

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

BTEAB | Acetic acid, 2-chloro-2-oxo-, ethyl ester | AKOS015833013 | F11252 | triethylbenzylammoniumbromide | AC-20118 | DTXSID20966295 | benzyl triethylammonium bromide | CHQVQXZFZHACQQ-UHFFFAOYSA-M | AKOS015888365 | D84178 | BENZENEMETHANAMINIUM, N, N, N-T

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488188381
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188381
• Sonrisas canónicas: CC[N+](CC)(CC)CC1=CC=CC=C1.[Br-]
• IUPAC Name: benzyl(triethyl)azanium;bromide
• InChIKey: CHQVQXZFZHACQQ-UHFFFAOYSA-M
• INCHI: 1S/C13H22N.BrH/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.[Br-]
• WGK Alemania: 3
• Peso molecular: 272.22
• Beilstein: 3739113
• Reaxy-Rn: 3739113
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3739113&ln=

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 bromide 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 bromide 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: Moisture sensitive
• Punto de fusión (°C): 190-194°C
• Peso molecular: 272.220 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 271.094 Da
• Monoisotopic Mass: 271.094 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

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