Trimethylnonylammonium Bromide - ≥98%(T) , CAS No.1943-11-9

CAS: 1943-11-9 Cat. No.: T162052 Molecular Weight: 266.27 Beilstein Registry Number: 4(4)777 EC Number: 217-733-9 PubChem CID: 74750

GRADE & PURITY ≥98%(T)

Synonyms

Trimethylnonylammonium bromide | Trimethyl-nonyl-ammonium bromide | EINECS 217-733-9 | D92636 | DTXSID00883779 | SCHEMBL4382369 | 1-Nonanaminium, N,N,N-trimethyl-, bromide (1:1) | MFCD00041986 | HY-W127647 | 1-Nonanaminium, N,N,N-trimethyl-, bromide | n,n

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Trimethylnonylammonium bromide | Trimethyl-nonyl-ammonium bromide | EINECS 217-733-9 | D92636 | DTXSID00883779 | SCHEMBL4382369 | 1-Nonanaminium, N, N, N-trimethyl-, bromide (1:1) | MFCD00041986 | HY-W127647 | 1-Nonanaminium, N, N, N-trimethyl-, bromide | n, n

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504754857
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754857
• Canonical Smiles: CCCCCCCCC[N+](C)(C)C.[Br-]
• IUPAC Name: trimethyl(nonyl)azanium;bromide
• InChIKey: SSEGNMJSEROZIF-UHFFFAOYSA-M
• INCHI: 1S/C12H28N.BrH/c1-5-6-7-8-9-10-11-12-13(2,3)4;/h5-12H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCC[N+](C)(C)C.[Br-]
• PubChem CID: 74750
• Molecular Weight: 266.27
• Beilstein: 4(4)777
• Reaxy-Rn: 3702760

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Melt Point(°C): 223 °C
• Molecular Weight: 266.260 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 265.141 Da
• Monoisotopic Mass: 265.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 102.000
• 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

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