4,4'-Dimethyltriphenylamine - ≥98% , CAS No.20440-95-3

CAS: 20440-95-3 Cat. No.: D102498 Molecular Weight: 273.38 EC Number: 243-822-7

GRADE & PURITY ≥98%

Synonyms

4,4'-Dimethyltriphenylamine | 4,4-DIMETHYLTRIPHENYLAMINE | Benzenamine, 4-methyl-N-(4-methylphenyl)-N-phenyl- | MFCD00115120 | USAF PD-58 | W-107621 | di(p-tolyl)phenylamine | Phenylbis(p-tolyl)amine | Phenyl(di-p-tolyl)amine | 4,4-Dimethyltriphenylamine;

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4, 4'-Dimethyltriphenylamine | 4, 4-DIMETHYLTRIPHENYLAMINE | Benzenamine, 4-methyl-N-(4-methylphenyl)-N-phenyl- | MFCD00115120 | USAF PD-58 | W-107621 | di(p-tolyl)phenylamine | Phenylbis(p-tolyl)amine | Phenyl(di-p-tolyl)amine | 4, 4-Dimethyltriphenylamine;

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186501
• Canonical Smiles: CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C
• IUPAC Name: 4-methyl-N-(4-methylphenyl)-N-phenylaniline
• InChIKey: YWKKLBATUCJUHI-UHFFFAOYSA-N
• INCHI: 1S/C20H19N/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h3-15H,1-2H3
• Isomeric SMILES: CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C
• Molecular Weight: 273.38
• Reaxy-Rn: 2846843
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2846843&ln=

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

• Melt Point(°C): 110°C
• Molecular Weight: 273.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 273.152 Da
• Monoisotopic Mass: 273.152 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 269.000
• 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. Jinming Zeng, Yongxiang Wang, Karthikeyan Rajan, Zongliang Xiao, Rizwan Ur Rehman Sagar, Ping Liu.  (2021)  Transparent-to-black electrochromic smart windows based on N, N, N′, N′-Tetraphenylbenzidine derivatives and tungsten trioxide with high adjustment ability for visible and near-infrared light.  SOLAR ENERGY MATERIALS AND SOLAR CELLS,      [PMID:] [10.1016/j.solmat.2021.111070]

2. Yuxin Xue, Qiong Lin, Xiangfeng Sun, Dongxia Li, Yulin Fu, Zhiqi Li, Yuanhao Shi, Chongxian Luo, Xuefeng Gui, Kai Xu.  (2025)  3D Silsesquioxane Cage-Based Covalent Organic Frameworks Enabling Efficient Ion Transport in Quasi-Solid-State Lithium Metal Batteries.  Small,      [PMID:40237118] [10.1002/smll.202501988]