4-Methyltriphenylamine - ≥98% , CAS No.4316-53-4

CAS: 4316-53-4 Cat. No.: M122892 Fórmula: C₁₉H₁₇N Peso molecular: 259.35 Beilstein Registry Number: 12(3)2033 Número CE: 677-549-3

GRADE & PURITY ≥98%

Synonyms

N-(4-methylphenyl)diphenylamine | N,N-Diphenyl-p-toluidine | N-(p-toluyl)-N,N-diphenylamine | (4-methylphenyl)diphenylamine | diphenyl-p-tolylamine | SB66874 | 4 METHYLTRIPHENYLAMINE | AKOS015915399 | AS-57737 | FT-0652746 | AMY18018 | Benzenamine, 4-met

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-(4-methylphenyl)diphenylamine | N,N-Diphenyl-p-toluidine | N-(p-toluyl)-N,N-diphenylamine | (4-methylphenyl)diphenylamine | diphenyl-p-tolylamine | SB66874 | 4 METHYLTRIPHENYLAMINE | AKOS015915399 | AS-57737 | FT-0652746 | AMY18018 | Benzenamine, 4-met

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488197379

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197379

Sorrisos canónicos

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3

IUPAC Name

4-methyl-N,N-diphenylaniline

InChIKey

IULUNTXBHHKFFR-UHFFFAOYSA-N

INCHI

1S/C19H17N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3

SMILES isoméricas

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3

Peso molecular

259.35

Beilstein

12(3)2033

Reaxy-Rn

2213525

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213525&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Aniline and substituted anilines Aminotoluenes Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Aminotoluene - Aniline or substituted anilines - Toluene - Benzenoid - Monocyclic benzene moiety - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Toluene
• Ponto de fusão (°C): 67°C
• Peso molecular: 259.300 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 259.136 Da
• Monoisotopic Mass: 259.136 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 249.000
• 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: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 4316-53-4, the molecular formula is C19H17N, and the molecular weight is 259.35 g/mol. InChIKey IULUNTXBHHKFFR-UHFFFAOYSA-N.

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.