Benzyltrimethylammonium hydroxide solution - 40% w/w in methanol , CAS No.100-85-6

CAS: 100-85-6 Cat. No.: B104503 分子式: C₁₀H₁₇NO 分子量: 167.25 Beilstein Registry Number: 3917256 EC番号: 202-895-5

GRADE & PURITY 40% w/w in methanol

Synonyms

Triton B | N,N,N-Trimethyl-N-benzylammonium hydroxide | N,N,N-trimethyl-1-phenylmethanaminium hydroxide | N,N,N-trimethylbenzenemethanaminium hydroxide

Storage

Argon charged,Room temperature

Shipped In

Normal

概要

Benzyltrimethylammonium hydroxide solution is a quaternary ammonium compound that is commonly used as a base in organic synthesis. It is also used as a base catalyst in some polymerization reactions.

Specifications

同義語

Triton B | N,N,N-Trimethyl-N-benzylammonium hydroxide | N,N,N-trimethyl-1-phenylmethanaminium hydroxide | N,N,N-trimethylbenzenemethanaminium hydroxide

仕様と純度

40% w/w in methanol

保管条件

Argon charged,Room temperature

入荷

Normal

名前と識別子

パブケム・シド

528775162

カノニカル・スマイル

C[N+](C)(C)CC1=CC=CC=C1.[OH-]

IUPAC Name

benzyl(trimethyl)azanium;hydroxide

InChIKey

NDKBVBUGCNGSJJ-UHFFFAOYSA-M

INCHI

1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1

異性体SMILES

C[N+](C)(C)CC1=CC=CC=C1.[OH-]

WGKドイツ

3

UN番号

3267

包装グループ

II

分子量

167.25

Beilstein

3917256

Reaxy-Rn

3917256

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917256&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Tetraalkylammonium salts Organopnictogen compounds Organic salts Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Tetraalkylammonium salt - 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
• 説明: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

化学的性質と物理的性質

• 溶解度: Soluble in water
• 感度: Hygroscopic,Air sensitive.
• 屈折率: 1.43
• 引火点（°F）: 51.8 °F
• 引火点（°C）: 15°C
• 沸点（°C）: 65°
• 分子量: 167.250 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 167.131 Da
• Monoisotopic Mass: 167.131 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 107.000
• 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