n-Octyltrimethylammonium Bromide - ≥98%(T) , CAS No.2083-68-3

CAS: 2083-68-3 Cat. No.: N159334 Summenformel: C₁₁H₂₆BrN Molekulargewicht: 252.24 EG-Nummer: 629-531-1

GRADE & PURITY ≥98%(T)

Synonyms

NSC97247 | NSC-97247 | Octalone | O0163 | Ammonium, trimethyloctyl-, bromide | n-Octyltrimethylammonium bromide | Trimethyl-n-octylammonium Bromide | 1-Octanaminium, N,N,N-trimethyl-, bromide (1:1) | DTXSID70943071 | N,N,N-trimethyloctan-1-aminium bromide

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyme

NSC97247 | NSC-97247 | Octalone | O0163 | Ammonium, trimethyloctyl-, bromide | n-Octyltrimethylammonium bromide | Trimethyl-n-octylammonium Bromide | 1-Octanaminium, N,N,N-trimethyl-, bromide (1:1) | DTXSID70943071 | N,N,N-trimethyloctan-1-aminium bromide

Spezifikationen & Reinheit

≥98%(T)

Storage

Room temperature,Argon charged,Desiccated

Verschickt in

Normal

Reinheit

≥98%(T)

Namen und Kennungen

Pubchem Sid

504754890

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754890

Kanonisches Lächeln

CCCCCCCC[N+](C)(C)C.[Br-]

IUPAC Name

trimethyl(octyl)azanium;bromide

InChIKey

XCOHAFVJQZPUKF-UHFFFAOYSA-M

INCHI

1S/C11H26N.BrH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1

Isomere SMILES

CCCCCCCC[N+](C)(C)C.[Br-]

WGK Deutschland

3

RTECS

RG8275000

Molekulargewicht

252.24

Reaxy-Rn

3628448

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3628448&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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: quaternary ammonium salt - bromide salt

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water
• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 217°C
• Molekulargewicht: 252.230 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 251.125 Da
• Monoisotopic Mass: 251.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 91.700
• 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