Cas no 183251-82-3 (N~1~,N~1~,4-Trimethyl-1,2-benzenediamine)

N~1~,N~1~,4-Trimethyl-1,2-benzenediamine is a substituted aromatic diamine featuring a benzene ring with two amine groups at the 1,2-positions and three methyl substituents at the N~1~ and 4-positions. This compound is valued for its role as a versatile intermediate in organic synthesis, particularly in the preparation of dyes, pharmaceuticals, and specialty polymers. Its structural symmetry and electron-donating methyl groups enhance reactivity in electrophilic substitution and condensation reactions. The product exhibits stability under standard conditions, facilitating handling and storage. Its purity and consistent performance make it suitable for high-precision applications in research and industrial processes.
N~1~,N~1~,4-Trimethyl-1,2-benzenediamine structure
183251-82-3 structure
Product Name:N~1~,N~1~,4-Trimethyl-1,2-benzenediamine
CAS No:183251-82-3
MF:C9H14N2
MW:150.220861911774
MDL:MFCD09971264
CID:114025
PubChem ID:17605661
Update Time:2025-10-21

N~1~,N~1~,4-Trimethyl-1,2-benzenediamine Chemical and Physical Properties

Names and Identifiers

    • N1,N1,4-Trimethylbenzene-1,2-diamine
    • (2-amino-4-methylphenyl)dimethylamine(SALTDATA: 2HCl)
    • 1,2-Benzenediamine,N1,N1,4-trimethyl-
    • N~1~,N~1~,4-Trimethyl-1,2-benzenediamine
    • (2-amino-4-methylphenyl)dimethylamine
    • 1,2-Benzenediamine,N1,N1,4-trimethyl-(9CI)
    • AKOS000101575
    • SCHEMBL2409781
    • SB76454
    • N1,N1,4-Trimethyl-1,2-benzenediamine
    • FT-0681368
    • 1-N,1-N,4-trimethylbenzene-1,2-diamine
    • 183251-82-3
    • CS-0117133
    • MDL: MFCD09971264
    • Inchi: 1S/C9H14N2/c1-7-4-5-9(11(2)3)8(10)6-7/h4-6H,10H2,1-3H3
    • InChI Key: VBPHFCKSOJIZJU-UHFFFAOYSA-N
    • SMILES: N(C)(C)C1C=CC(C)=CC=1N

Computed Properties

  • Exact Mass: 150.11600
  • Monoisotopic Mass: 150.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 123
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 29.3?2

Experimental Properties

  • Density: 1.029
  • Boiling Point: 265°C at 760 mmHg
  • Flash Point: 100.8°C
  • Refractive Index: 1.595
  • PSA: 29.26000
  • LogP: 2.22440

N~1~,N~1~,4-Trimethyl-1,2-benzenediamine Security Information

N~1~,N~1~,4-Trimethyl-1,2-benzenediamine Customs Data

  • HS CODE:2921590090
  • Customs Data:

    China Customs Code:

    2921590090

    Overview:

    2921590090. Other aromatic polyamines and derivatives and their salts. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921590090. other aromatic polyamines and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

N~1~,N~1~,4-Trimethyl-1,2-benzenediamine Pricemore >>

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Additional information on N~1~,N~1~,4-Trimethyl-1,2-benzenediamine

Professional Introduction to N~1~,N~1~,4-Trimethyl-1,2-benzenediamine (CAS No. 183251-82-3)

N~1~,N~1~,4-Trimethyl-1,2-benzenediamine is a significant compound in the field of pharmaceutical chemistry, characterized by its unique molecular structure and diverse potential applications. This compound, identified by the CAS number 183251-82-3, has garnered attention due to its structural complexity and its role as a precursor in the synthesis of various pharmacologically active molecules. The presence of multiple methyl and amine functional groups makes it a versatile intermediate in organic synthesis, particularly in the development of novel therapeutic agents.

The molecular formula of N~1~,N~1~,4-Trimethyl-1,2-benzenediamine is C?H??N?, reflecting its aromatic backbone with three methyl substituents and two amine groups. This configuration imparts a high degree of reactivity, enabling it to participate in a wide range of chemical transformations. The compound's stability under various conditions further enhances its utility in synthetic protocols. Recent studies have highlighted its importance in the synthesis of complex heterocyclic compounds, which are increasingly being explored for their medicinal properties.

In the realm of drug discovery, N~1~,N~1~,4-Trimethyl-1,2-benzenediamine has been utilized as a building block for more intricate molecules. Its ability to undergo selective functionalization allows researchers to tailor the properties of derived compounds for specific therapeutic targets. For instance, derivatives of this compound have shown promise in the development of kinase inhibitors, which are critical in treating cancers and inflammatory diseases. The amine groups provide nucleophilic centers that can react with electrophilic substrates, facilitating the introduction of additional functional moieties.

Recent advancements in computational chemistry have further illuminated the potential of N~1~,N~1~,4-Trimethyl-1,2-benzenediamine. Molecular modeling studies suggest that this compound can form stable complexes with biological targets, enhancing drug delivery and efficacy. These simulations have guided experimental efforts, leading to more efficient synthetic routes and improved yields. The integration of machine learning algorithms has also enabled the prediction of novel derivatives with enhanced pharmacological profiles.

The pharmaceutical industry has been particularly interested in exploring the therapeutic potential of N~1~,N~1~,4-Trimethyl-1,2-benzenediamine derivatives. Preclinical studies have demonstrated that certain analogs exhibit significant anti-inflammatory and analgesic properties. These findings have prompted further investigation into their mechanisms of action, aiming to identify lead compounds for clinical development. The compound's structural features make it an attractive candidate for modulating enzyme activity and receptor binding interactions.

Industrial applications of N~1~,N~1~,4-Trimethyl-1,2-benzenediamine extend beyond pharmaceuticals. Its role as a precursor in agrochemical synthesis has been explored, particularly in the development of novel herbicides and pesticides. The compound's reactivity allows for the creation of derivatives with enhanced environmental stability and biodegradability. Such developments are crucial in addressing the growing need for sustainable agricultural practices.

Environmental considerations have also driven research into greener synthetic methods for N~1~,N~1~,4-Trimethyl-1,2-benzenediamine production. Catalytic processes have been optimized to minimize waste and energy consumption while maintaining high yields. These innovations align with global efforts to promote sustainable chemistry practices. Additionally, biocatalytic approaches using engineered enzymes have shown promise in facilitating selective transformations without harsh chemical conditions.

The future prospects for N~1~,N~1~,4-Trimethyl-1,2-benzenediamine are promising, with ongoing research uncovering new applications and synthetic strategies. Collaborative efforts between academia and industry are essential to translate laboratory discoveries into practical solutions for societal challenges. As our understanding of molecular interactions deepens, so too does our ability to harness this compound's potential for innovation.

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