Cas no 946668-90-2 (3-Chloro-4-(2-ethyl-1-piperidinyl)aniline)

3-Chloro-4-(2-ethyl-1-piperidinyl)aniline is a substituted aniline derivative featuring a chloro group at the 3-position and a 2-ethylpiperidinyl moiety at the 4-position. This compound is of interest in pharmaceutical and agrochemical research due to its structural versatility as a building block for synthesizing biologically active molecules. The presence of both electron-withdrawing (chloro) and electron-donating (piperidinyl) groups enhances its reactivity in electrophilic and nucleophilic substitutions, making it valuable for derivatization. Its well-defined molecular structure ensures consistent performance in synthetic applications. The compound is typically handled under controlled conditions due to its potential sensitivity to light and air. Suitable for use in medicinal chemistry and material science, it offers a balance of stability and reactivity.
3-Chloro-4-(2-ethyl-1-piperidinyl)aniline structure
946668-90-2 structure
Product Name:3-Chloro-4-(2-ethyl-1-piperidinyl)aniline
CAS No:946668-90-2
MF:C13H19ClN2
MW:238.756362199783
CID:3047395
PubChem ID:17605528
Update Time:2025-11-02

3-Chloro-4-(2-ethyl-1-piperidinyl)aniline Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline
    • 3-CHLORO-4-(2-ETHYLPIPERIDIN-1-YL)ANILINE
    • Benzenamine, 3-chloro-4-(2-ethyl-1-piperidinyl)-
    • AKOS009142270
    • 946668-90-2
    • Inchi: 1S/C13H19ClN2/c1-2-11-5-3-4-8-16(11)13-7-6-10(15)9-12(13)14/h6-7,9,11H,2-5,8,15H2,1H3
    • InChI Key: VFJCWRHGMCYMLV-UHFFFAOYSA-N
    • SMILES: C1(N)=CC=C(N2CCCCC2CC)C(Cl)=C1

Computed Properties

  • Exact Mass: 238.1236763g/mol
  • Monoisotopic Mass: 238.1236763g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 222
  • 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: 3.8
  • Topological Polar Surface Area: 29.3?2

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Additional information on 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline

Comprehensive Overview of 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline (CAS No. 946668-90-2)

3-Chloro-4-(2-ethyl-1-piperidinyl)aniline (CAS No. 946668-90-2) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound, characterized by its unique molecular structure combining an aniline core with a piperidine substituent, serves as a key intermediate in the synthesis of various bioactive molecules. Its CAS number 946668-90-2 is frequently searched in scientific databases, reflecting its importance in modern chemistry.

The molecular formula of 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline is C13H19ClN2, with a molecular weight of 238.76 g/mol. The presence of both chloro and ethyl-piperidinyl groups contributes to its distinct chemical properties, making it valuable for researchers exploring novel drug candidates. Recent trends in medicinal chemistry highlight the growing demand for such piperidine-containing compounds, particularly in the development of central nervous system (CNS) therapeutics.

From a synthetic chemistry perspective, 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline demonstrates interesting reactivity patterns. The aniline moiety provides a site for various electrophilic aromatic substitutions, while the piperidine ring offers opportunities for further functionalization. These characteristics make it a versatile building block in organic synthesis, especially for creating complex heterocyclic systems that are prevalent in many FDA-approved drugs.

The pharmaceutical applications of 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline are particularly noteworthy. Current research indicates potential utility in the development of GPCR-targeting drugs, a hot topic in drug discovery. The compound's structural features resemble those found in several neuromodulators and receptor ligands, making it valuable for studying neurotransmitter systems. This aligns with the increasing scientific interest in neuropharmacology and precision medicine approaches.

In terms of physicochemical properties, 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline typically appears as a light-colored crystalline solid with moderate solubility in organic solvents. Its lipophilicity (predicted logP ~3.2) makes it particularly interesting for drug design, as this property affects membrane permeability and bioavailability - key considerations in modern pharmacokinetic optimization strategies.

The safety profile of 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline requires careful handling according to standard laboratory protocols. While not classified as hazardous under normal conditions, proper personal protective equipment (PPE) should always be used when working with this compound, as with any fine chemical. Researchers frequently search for MSDS information and handling guidelines for this CAS number, emphasizing the importance of safety in chemical research.

Market analysis reveals growing interest in 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline among contract research organizations (CROs) and pharmaceutical companies. The compound's role as a pharmaceutical intermediate positions it well within the expanding custom synthesis market. Current pricing trends reflect its specialized nature, with costs varying based on purity requirements and order quantities.

From a regulatory standpoint, 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline (CAS 946668-90-2) is not currently listed on major controlled substance schedules. However, researchers should always verify the latest chemical compliance regulations in their jurisdiction before procurement or use. The compound's status may vary depending on regional chemical control laws and intended applications.

Analytical characterization of 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline typically involves techniques such as HPLC, GC-MS, and NMR spectroscopy. These methods are crucial for verifying purity and identity, especially when the compound is used in sensitive applications like drug discovery. The distinctive NMR signals of the piperidine protons and aromatic protons provide clear fingerprints for quality control purposes.

Storage recommendations for 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline suggest keeping the material in a cool, dry place away from light and moisture. Proper chemical storage conditions help maintain stability and prevent decomposition, which is particularly important for research reproducibility. Many laboratories search for optimal compound storage solutions to preserve sensitive chemicals like this one.

Future research directions for 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline may explore its potential in catalysis or as a scaffold for metal-organic frameworks (MOFs). The compound's structural features could lend themselves to innovative applications in materials science, particularly in designing functionalized surfaces or specialized polymers. These emerging applications align with current scientific trends toward multifunctional materials.

For researchers sourcing 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline, several reputable chemical suppliers offer this compound in various quantities. Procurement considerations should include purity specifications, analytical certificates, and supplier reliability - factors that frequently appear in chemical sourcing queries. The global nature of the chemical supply chain makes international standards compliance an important factor in supplier selection.

In conclusion, 3-Chloro-4-(2-ethyl-1-piperidinyl)aniline (CAS No. 946668-90-2) represents an important chemical entity with diverse applications in pharmaceutical research and organic synthesis. Its unique combination of aromatic and heterocyclic features continues to attract scientific interest, particularly in the context of medicinal chemistry innovations. As research progresses, this compound may reveal additional utilities in various scientific domains, reinforcing its value as a specialized chemical building block.

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