4-Aminotriphenylamine - ≥95%(HPLC) , CAS No.2350-01-8

CAS: 2350-01-8 Cat. No.: A151051 Formula: C₁₈H₁₆N₂ Molecular Weight: 260.34 EC Number: 810-939-5

GRADE & PURITY ≥95%(HPLC)

Synonyms

AMY30303 | BCP21037 | N-(4-aminophenyl)-N,N-diphenylamine | (3-Hydroxymethyl-1,4-dioxy-quinoxalin-2-yl)-methanol | 1, N,N-diphenyl- | 4-(Diphenylamino)aniline | 4-diphenylaminoaniline | 4-(n,n-diphenylamino)aniline | MFCD00869769 | NMJ7B4GX4V | AS-10098 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AMY30303 | BCP21037 | N-(4-aminophenyl)-N,N-diphenylamine | (3-Hydroxymethyl-1,4-dioxy-quinoxalin-2-yl)-methanol | 1, N,N-diphenyl- | 4-(Diphenylamino)aniline | 4-diphenylaminoaniline | 4-(n,n-diphenylamino)aniline | MFCD00869769 | NMJ7B4GX4V | AS-10098 |

Specifications & Purity

≥95%(HPLC)

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥95%(HPLC)

Names and Identifiers

• Pubchem Sid: 488185088
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185088
• Canonical Smiles: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N
• IUPAC Name: 4-N,4-N-diphenylbenzene-1,4-diamine
• InChIKey: UXKQNCDDHDBAPD-UHFFFAOYSA-N
• INCHI: 1S/C18H16N2/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,19H2
• Isomeric SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N
• Molecular Weight: 260.34
• Reaxy-Rn: 1879489
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1879489&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 Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Primary amine - 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

• Sensitivity: air sensitive
• Boil Point(°C): 270°C/57mmHg
• Melt Point(°C): 146 °C
• Molecular Weight: 260.300 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 260.131 Da
• Monoisotopic Mass: 260.131 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 253.000
• 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. Xiaojing Lv, Conghui Huang, Alexey Tameev, Liang Qian, Rui Zhu, Konstantin Katin, Mikhail Maslov, Alexander Nekrasov, Cheng Zhang.  (2018)  Electrochemical polymerization process and excellent electrochromic properties of ferrocene-functionalized polytriphenylamine derivative.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2018.12.019]

2. Li Yongqiang, Yang Siwei, Bao Wancheng, Tao Quan, Jiang Xiuyun, Li Jipeng, He Peng, Wang Gang, Qi Kai, Dong Hui, Ding Guqiao, Xie Xiaoming.  (2024)  Accelerated proton dissociation in an excited state induces superacidic microenvironments around graphene quantum dots.  Nature Communications,  15  (1): (1-13).  [PMID:39103388] [10.1038/s41467-024-50982-x]