4-methoxy-N-(4-methoxyphenyl)-N-(4-vinylphenyl)aniline - ≥97%, Stabilized with TBC , CAS No.152759-09-6

CAS: 152759-09-6 Cat. No.: M930973 Molecular Weight: 331.4 PubChem CID: 22927273

GRADE & PURITY ≥97%, Stabilized with TBC

Storage

Room temperature

Specifications

Specifications & Purity

≥97%, Stabilized with TBC

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=C)C3=CC=C(C=C3)OC
• IUPAC Name: 4-ethenyl-N,N-bis(4-methoxyphenyl)aniline
• InChIKey: GZSYVCWWIYBKJP-UHFFFAOYSA-N
• INCHI: 1S/C22H21NO2/c1-4-17-5-7-18(8-6-17)23(19-9-13-21(24-2)14-10-19)20-11-15-22(25-3)16-12-20/h4-16H,1H2,2-3H3
• Isomeric SMILES: COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=C)C3=CC=C(C=C3)OC
• PubChem CID: 22927273
• Molecular Weight: 331.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Methoxyanilines Aminophenyl ethers Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Aminophenyl ether - Methoxyaniline - Anisole - Phenol ether - Styrene - Phenoxy compound - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 331.400 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 331.157 Da
• Monoisotopic Mass: 331.157 Da
• Topological Polar Surface Area: 21.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 365.000
• 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