Trimethylphenylammonium chloride - ≥98% , CAS No.138-24-9

CAS: 138-24-9 Cat. No.: T107303 Molecular Weight: 171.67 Beilstein Registry Number: 3572527 EC Number: 205-319-0 PubChem CID: 67309

GRADE & PURITY ≥98%

Synonyms

P0244 | Benzenaminium, N,N,N-trimethyl-, chloride | EC 205-319-0 | HY-W016923 | phenyl trimethyl ammonium chloride | N,N,N-trimethylbenzenaminium | phenyltrimethyl ammonium chloride | EINECS 205-319-0 | n,n,n-trimethylbenzenaminiumchloride | SCHEMBL237898

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Synonyms

P0244 | Benzenaminium, N, N, N-trimethyl-, chloride | EC 205-319-0 | HY-W016923 | phenyl trimethyl ammonium chloride | N, N, N-trimethylbenzenaminium | phenyltrimethyl ammonium chloride | EINECS 205-319-0 | n, n, n-trimethylbenzenaminiumchloride | SCHEMBL237898

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[N+](C)(C)C1=CC=CC=C1.[Cl-]
• IUPAC Name: trimethyl(phenyl)azanium;chloride
• InChIKey: MQAYPFVXSPHGJM-UHFFFAOYSA-M
• INCHI: 1S/C9H14N.ClH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+](C)(C)C1=CC=CC=C1.[Cl-]
• WGK Germany: 1
• RTECS: BT2190000
• PubChem CID: 67309
• UN Number: 2811
• Molecular Weight: 171.67
• Beilstein: 3572527
• Reaxy-Rn: 3572527

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Quaternary ammonium salts Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Quaternary ammonium salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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 333 g/L.
• Sensitivity: Hygroscopic
• Melt Point(°C): 246-248°C
• Molecular Weight: 171.670 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 171.081 Da
• Monoisotopic Mass: 171.081 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 95.800
• 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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