Tris(4-ethynylphenyl)amine - ≥97% , CAS No.189178-09-4

CAS: 189178-09-4 Cat. No.: B300086 Fórmula: C₂₄H₁₅N Peso molecular: 317.39 Número EC: 835-619-2

GRADE & PURITY ≥97%

Synonyms

T3094 | tri(4-ethynylphenyl)amine | Benzenamine, 4-ethynyl-N,N-bis(4-ethynylphenyl)- | Tris-(4-ethynyl-phenyl)-amine | tris(4-ethynylphenyl)amine | DTXSID70634194 | doi:10.14272/QGICIDGCKPUALM-UHFFFAOYSA-N.1 | MFCD09030768 | 10.14272/QGICIDGCKPUALM-UHFFFA

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

T3094 | tri(4-ethynylphenyl)amine | Benzenamine, 4-ethynyl-N,N-bis(4-ethynylphenyl)- | Tris-(4-ethynyl-phenyl)-amine | tris(4-ethynylphenyl)amine | DTXSID70634194 | doi:10.14272/QGICIDGCKPUALM-UHFFFAOYSA-N.1 | MFCD09030768 | 10.14272/QGICIDGCKPUALM-UHFFFA

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488200336

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200336

Sonrisas canónicas

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

IUPAC Name

4-ethynyl-N,N-bis(4-ethynylphenyl)aniline

InChIKey

QGICIDGCKPUALM-UHFFFAOYSA-N

INCHI

1S/C24H15N/c1-4-19-7-13-22(14-8-19)25(23-15-9-20(5-2)10-16-23)24-17-11-21(6-3)12-18-24/h1-3,7-18H

Isómeros SMILES

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

Peso molecular

317.39

Reaxy-Rn

9938839

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9938839&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Aniline and substituted anilines Acetylides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Acetylide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 115 °C
• Peso molecular: 317.400 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 317.12 Da
• Monoisotopic Mass: 317.12 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 480.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 189178-09-4, the molecular formula is C24H15N, and the molecular weight is 317.39 g/mol. InChIKey QGICIDGCKPUALM-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.