Trimethylphenylammonium hydroxide solution - 0.2M in Methanol , CAS No.1899-02-1

CAS: 1899-02-1 Cat. No.: T131610 Molecular Weight: 153.22 Beilstein Registry Number: 3917033 EC Number: 217-592-3

GRADE & PURITY 0.2M in Methanol

Synonyms

Phenyl trimethyl ammonium hydroxide | phenyltrimethyl-ammoniuhydroxide | FT-0718875 | Q27158311 | N,N,N-Trimethylbenzenaminium hydroxide | MFCD00041899 | Phenyltrimethylammonium hydroxide | P0245 | CHEBI:85062 | phenyltrimethyl ammonium hydroxide | Trimet

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Phenyl trimethyl ammonium hydroxide | phenyltrimethyl-ammoniuhydroxide | FT-0718875 | Q27158311 | N, N, N-Trimethylbenzenaminium hydroxide | MFCD00041899 | Phenyltrimethylammonium hydroxide | P0245 | CHEBI:85062 | phenyltrimethyl ammonium hydroxide | Trimet

Specifications & Purity

0.2M in Methanol

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C[N+](C)(C)C1=CC=CC=C1.[OH-]
• IUPAC Name: trimethyl(phenyl)azanium;hydroxide
• InChIKey: HADKRTWCOYPCPH-UHFFFAOYSA-M
• INCHI: 1S/C9H14N.H2O/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H2/q+1;/p-1
• Isomeric SMILES: C[N+](C)(C)C1=CC=CC=C1.[OH-]
• WGK Germany: 3
• UN Number: 3267
• Packing Group: II
• Molecular Weight: 153.22
• Beilstein: 3917033

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 salts Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Quaternary ammonium salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic hydroxide - 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: quaternary ammonium 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

Chemical and Physical Properties

• Sensitivity: air sensitive ；Moisture sensitive；heat sensitive
• Refractive Index: n20/D 1.395
• Molecular Weight: 153.220 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 153.115 Da
• Monoisotopic Mass: 153.115 Da
• Topological Polar Surface Area: 1.000 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

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