ベンジルトリメチルアンモニウムヒドロキシド溶液 - メタノール中20 , CAS No.100-85-6

CAS: 100-85-6 Cat. No.: B104501 分子式: C₁₀H₁₇NO 分子量: 167.25 Beilstein Registry Number: 3917256 EC番号: 202-895-5

GRADE & PURITY 20% in methanol

Synonyms

A800289 | Benzenemethanaminium, N,N,N-trimethyl-, hydroxide | BP-20381 | B0428 | NCGC00257520-01 | trimethyl-(phenylmethyl)azanium hydroxide | N,N,N-Trimethyl-1-phenylmethanaminium hydroxide | Q4890825 | Benzyltrimethylammonium Hydroxide 40% Methanol | tr

Storage

Argon charged,Room temperature

Shipped In

ノーマル

Specifications

同義語

A800289 | Benzenemethanaminium, N,N,N-trimethyl-, hydroxide | BP-20381 | B0428 | NCGC00257520-01 | trimethyl-(phenylmethyl)azanium hydroxide | N,N,N-Trimethyl-1-phenylmethanaminium hydroxide | Q4890825 | Benzyltrimethylammonium Hydroxide 40% Methanol | tr

仕様と純度

メタノール中20

保管条件

Argon charged,Room temperature

入荷

ノーマル

名前と識別子

パブケム・シド

528775161

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

• 感度: Moisture & 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