Poly[bis(4-​phenyl)​(2,4,6-​trimethylphenyl)​amine]（PTAA） - Mn＞25000 , CAS No.1333317-99-9

CAS: 1333317-99-9 Cat. No.: P292971 PubChem CID: 19734974

GRADE & PURITY Mn＞25000

Synonyms

Poly[[(2,4,6-trimethylphenyl)imino][1,1′-biphenyl]-4,4′-diyl] | PTAA

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Poly[[(2, 4, 6-trimethylphenyl)imino][1, 1′-biphenyl]-4, 4′-diyl] | PTAA

Specifications & Purity

Mn＞25000

Storage

Room temperature, Argon charged

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C(=C1)C)N(C2=CC=CC=C2)C3=CC=CC=C3)C
• IUPAC Name: 2,4,6-trimethyl-N,N-diphenylaniline
• InChIKey: TZJRFZZCRASCAW-UHFFFAOYSA-N
• INCHI: 1S/C21H21N/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)N(C2=CC=CC=C2)C3=CC=CC=C3)C
• PubChem CID: 19734974

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: Aniline and substituted anilines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - 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

• Solubility: Soluble in Chloroform，THF，Toluene and Chlorobenzene et al
• Melt Point(°C): >400 °C
• Molecular Weight: 287.400 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 287.167 Da
• Monoisotopic Mass: 287.167 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 297.000
• 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

References

1. Haipeng Zeng, Lin Li, Fengxiang Liu, Min Li, Shujing Zhang, Xin Zheng, Long Luo, Shuai You, Yang Zhao, Rui Guo, Zhongmiao Gong, Rong Huang, Zhe Li, Ti Wang, Yi Cui, Yaoguang Rong, Xiong Li.  (2021)  Improved Performance and Stability of Perovskite Solar Modules by Regulating Interfacial Ion Diffusion with Nonionic Cross-Linked 1D Lead-Iodide.  Advanced Energy Materials,  12  (1): (2102820).  [PMID:] [10.1002/aenm.202102820]