Benzyltrimethylammonium hydroxide solution - 25% in water , CAS No.100-85-6

CAS: 100-85-6 Cat. No.: B104502 Formule: C₁₀H₁₇NO Poids moléculaire: 167.25 Beilstein Registry Number: 3917256 Numéro CE: 202-895-5

GRADE & PURITY 25% in water

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

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

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

Spécifications et pureté

25% in water

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Noms et identifiants

Pubchem Sid

488183866

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183866

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Numéro ONU

3267

Groupe d'emballage

II

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air and CO2 sensitive
• Indice de réfraction: 1.43
• Point d'éclair (°F): 51.8 °F
• Point d'éclair (°C): 15°C
• Point d'ébullition (°C): 65°
• Poids moléculaire: 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

Foire aux questions

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 100-85-6, the molecular formula is C10H17NO, and the molecular weight is 167.25 g/mol. InChIKey NDKBVBUGCNGSJJ-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.