Tetraheptylammonium bromide(THPAB) - for ion pair chromatography, ≥99% , CAS No.4368-51-8

CAS: 4368-51-8 Cat. No.: T108124 Peso molecular: 490.7 Beilstein Registry Number: 3763391 Número EC: 224-459-3 PubChem CID: 78073

GRADE & PURITY for Ion pair chromatography, ≥99%

Synonyms

Tetra-n-Heptylammonium Bromide | 1-Heptanaminium, N,N,N-triheptyl-, bromide | FT-0737295 | 1-Heptanaminium, N,N,N-triheptyl-, bromide (1:1) | T1602 | BCP22581 | SY010841 | DTXSID20884066 | MFCD00011861 | HY-W010795 | tetraheptylazanium;bromide | AC7939 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

Tetra-n-heptylammonium bromide is used as a mobile phase for the separation of a series of glucosinolates by reversed-phase ion-pair liquid chromatography. It acts as an ion pair reagent, which is used in the extraction of molybdenum complexes into toluene film. Further, it is used in organic synthesis. It is also used in coatings, printing ink, rubber, glass, leather and cosmetics.

Specifications

Sinónimos

Tetra-n-Heptylammonium Bromide | 1-Heptanaminium, N, N, N-triheptyl-, bromide | FT-0737295 | 1-Heptanaminium, N, N, N-triheptyl-, bromide (1:1) | T1602 | BCP22581 | SY010841 | DTXSID20884066 | MFCD00011861 | HY-W010795 | tetraheptylazanium;bromide | AC7939 |

Especificaciones y pureza

for ion pair chromatography, ≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Grado

for Ion pair chromatography

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]
• IUPAC Name: tetraheptylazanium;bromide
• InChIKey: YQIVQBMEBZGFBY-UHFFFAOYSA-M
• INCHI: 1S/C28H60N.BrH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1
• Isómeros SMILES: CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]
• WGK Alemania: 3
• PubChem CID: 78073
• Peso molecular: 490.7
• Beilstein: 3763391
• Reaxy-Rn: 3763391

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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 and methanol.
• Sensibilidad: moisture sensitive
• Punto de fusión (°C): 89-91°C
• Peso molecular: 490.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 24
• Exact Mass: 489.391 Da
• Monoisotopic Mass: 489.391 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 237.000
• 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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