Benzyltrimethylammonium hydroxide solution - 20% in methanol , CAS No.100-85-6

CAS: 100-85-6 Cat. No.: B104501 Peso molecular: 167.25 Beilstein Registry Number: 3917256 Número EC: 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

Normal

Specifications

Sinónimos

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

Especificaciones y pureza

20% in methanol

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C[N+](C)(C)CC1=CC=CC=C1.[OH-]
• WGK Alemania: 3
• Número ONU: 3267
• Grupo de embalaje: II
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture & Air Sensitive
• Índice de refracción: 1.43
• Punto de inflamación (°F): 51.8 °F
• Punto de inflamación (°C): 15°C
• Punto de ebullición (°C): 65°
• Peso molecular: 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

Referencias

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