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

CAS: 4368-51-8 Cat. No.: T108124 Molecular Weight: 490.7 Beilstein Registry Number: 3763391 EC Number: 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

Overview

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

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 |

Specifications & Purity

for ion pair chromatography, ≥99%

Storage

Room temperature, Argon charged

Shipped In

Normal

Grade

for Ion pair chromatography

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]
• WGK Germany: 3
• PubChem CID: 78073
• Molecular Weight: 490.7
• Beilstein: 3763391
• Reaxy-Rn: 3763391

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water and methanol.
• Sensitivity: moisture sensitive
• Melt Point(°C): 89-91°C
• Molecular Weight: 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

References

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