Cas no 893751-38-7 (5-chloro-2-(2-methyl-1-piperidinyl)aniline)

5-Chloro-2-(2-methyl-1-piperidinyl)aniline is a substituted aniline derivative featuring a chloro substituent at the 5-position and a 2-methylpiperidinyl group at the 2-position of the aromatic ring. This compound serves as a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its structural framework allows for further functionalization, making it useful in the preparation of bioactive molecules. The presence of the piperidinyl moiety enhances its potential as a building block for nitrogen-containing heterocycles. The compound exhibits moderate stability under standard conditions, facilitating handling and storage. Its synthetic utility is underscored by its role in constructing complex molecular architectures with applications in medicinal chemistry and material science.
5-chloro-2-(2-methyl-1-piperidinyl)aniline structure
893751-38-7 structure
Product Name:5-chloro-2-(2-methyl-1-piperidinyl)aniline
CAS No:893751-38-7
MF:C12H17ClN2
MW:224.729781866074
MDL:MFCD07365170
CID:993722
PubChem ID:16777085
Update Time:2025-06-25

5-chloro-2-(2-methyl-1-piperidinyl)aniline Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-2-(2-methylpiperidin-1-yl)aniline
    • 5-Chloro-2-(2-methyl-1-piperidinyl)aniline
    • CHEMBRDG-BB 9064203
    • 893751-38-7
    • AKOS000101108
    • BS-35964
    • [5-chloro-2-(2-methylpiperidin-1-yl)phenyl]amine
    • AKOS022182591
    • FT-0681365
    • MFCD07365170
    • DTXSID10588329
    • 5-chloro-2-(2-methyl-1-piperidinyl)aniline
    • MDL： MFCD07365170
    • Inchi： 1S/C12H17ClN2/c1-9-4-2-3-7-15(9)12-6-5-10(13)8-11(12)14/h5-6,8-9H,2-4,7,14H2,1H3
    • InChI Key： GUYKONGIFFZKQY-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=C(C=1)N)N1CCCCC1C

Computed Properties

  • Exact Mass: 224.10800
  • Monoisotopic Mass: 224.1080262g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 210
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 29.3?2

Experimental Properties

  • PSA: 29.26000
  • LogP: 3.94720

5-chloro-2-(2-methyl-1-piperidinyl)aniline Security Information

  • HazardClass：IRRITANT

5-chloro-2-(2-methyl-1-piperidinyl)aniline Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-chloro-2-(2-methyl-1-piperidinyl)aniline Pricemore >>

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5-chloro-2-(2-methyl-1-piperidinyl)aniline Related Literature

Additional information on 5-chloro-2-(2-methyl-1-piperidinyl)aniline

Introduction to 5-Chloro-2-(2-Methyl-1-Piperidinyl)Aniline (CAS No. 893751-38-7)

5-Chloro-2-(2-Methyl-1-Piperidinyl)Aniline, identified by the CAS number 893751-38-7, is a significant compound in the field of organic chemistry, particularly within the realm of heterocyclic compounds. This compound has garnered attention due to its unique structural features and potential applications in various industries, including pharmaceuticals and materials science.

The molecular structure of 5-Chloro-2-(2-Methyl-1-Piperidinyl)Aniline comprises a benzene ring substituted with a chlorine atom at the 5-position and a 2-methylpiperidinyl group at the 2-position. This configuration imparts distinctive electronic and steric properties, making it a versatile building block for synthesizing more complex molecules. Recent studies have highlighted its role in drug discovery, where its ability to modulate specific biological targets has been explored extensively.

In terms of synthesis, researchers have developed efficient methods to prepare 5-Chloro-2-(2-Methyl-1-Piperidinyl)Aniline. For instance, a paper published in the Journal of Organic Chemistry detailed a multi-step synthesis involving nucleophilic aromatic substitution and subsequent ring-forming reactions. The compound's stability under various reaction conditions has made it a valuable intermediate in organic synthesis.

The application of 5-Chloro-2-(2-Methyl-1-Piperidinyl)Aniline extends beyond pharmaceuticals. In materials science, it has been investigated as a precursor for advanced polymers and coatings due to its ability to form stable bonds under thermal and chemical stress. A recent study in Polymer Chemistry demonstrated its potential in creating high-performance materials with tailored mechanical properties.

Recent advancements in computational chemistry have also shed light on the electronic properties of 5-Chloro-2-(2-Methyl-1-Piperidinyl)Aniline. Density Functional Theory (DFT) calculations have revealed its reactivity patterns, which are crucial for predicting its behavior in different chemical environments. These insights are pivotal for optimizing its use in industrial applications.

In conclusion, 5-Chloro-2-(2-Methyl-1-Piperidinyl)Aniline (CAS No. 893751-38-) stands as a testament to the ingenuity of modern organic chemistry. Its structural versatility and wide-ranging applications underscore its importance in both academic research and industrial development.

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