Cas no 54799-03-0 (4-(Aminomethyl)aniline dihydrochloride)

4-(Aminomethyl)aniline dihydrochloride is a hydrochloride salt derivative of 4-(aminomethyl)aniline, commonly used as a versatile intermediate in organic synthesis and pharmaceutical applications. Its key advantages include high purity and stability, making it suitable for precise chemical reactions. The compound features both aromatic and primary amine functionalities, enabling its use in coupling reactions, dye synthesis, and as a building block for more complex molecules. The dihydrochloride form enhances solubility in aqueous systems, facilitating handling in laboratory and industrial settings. Its consistent quality and reactivity make it a reliable choice for researchers and manufacturers requiring controlled amine-based transformations.
4-(Aminomethyl)aniline dihydrochloride structure
54799-03-0 structure
Product Name:4-(Aminomethyl)aniline dihydrochloride
CAS No:54799-03-0
MF:C7H12Cl2N2
MW:195.089579582214
MDL:MFCD03160786
CID:377273
Update Time:2025-06-12

4-(Aminomethyl)aniline dihydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4-(Aminomethyl)aniline dihydrochloride
    • 4-(aminomethyl)benzenamine dihydrochloride
    • 4-AMino-benzeneMethanaMine dihydrochloride
    • 4-Aminobenzylamine 2Hcl
    • 4-Aminobenzylamine Dihydrochloride
    • Benzenemethanamine,4-amino-, hydrochloride (1:2)
    • p-Aminobenzylamine dihydrochloride
    • Benzenemethanamine, 4-amino-, dihydrochloride
    • (4-aminobenzyl)amine dihydrochloride
    • KSC914G6N
    • 4-(Aminomethyl)aniline DiHCl
    • SY058286
    • AX8091005
    • AB1004795
    • ST2405408
    • AM20040693
    • 4-
    • MDL: MFCD03160786
    • Inchi: 1S/C7H10N2.2ClH/c8-5-6-1-3-7(9)4-2-6;;/h1-4H,5,8-9H2;2*1H
    • InChI Key: GMYWFOGAJAQFHN-UHFFFAOYSA-N
    • SMILES: Cl.Cl.NCC1C=CC(=CC=1)N

Computed Properties

  • Exact Mass: 194.03800
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 75
  • Topological Polar Surface Area: 52

Experimental Properties

  • Melting Point: 360 oC
  • PSA: 52.04000
  • LogP: 3.61300

4-(Aminomethyl)aniline dihydrochloride Security Information

4-(Aminomethyl)aniline dihydrochloride 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%

4-(Aminomethyl)aniline dihydrochloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
A193875-5g
4-(Aminomethyl)aniline dihydrochloride
54799-03-0 ≥98%
5g
¥113.90 2023-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
A193875-100g
4-(Aminomethyl)aniline dihydrochloride
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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¥318.90 2023-09-04
Fluorochem
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4-(Aminomethyl)aniline dihydrochloride Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:54799-03-0)4-(AMINOMETHYL)ANILINE DIHYDROCHLORIDE
Order Number:sfd17398
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally

Additional information on 4-(Aminomethyl)aniline dihydrochloride

Introduction to 4-(Aminomethyl)aniline dihydrochloride (CAS No. 54799-03-0)

4-(Aminomethyl)aniline dihydrochloride, identified by the Chemical Abstracts Service Number (CAS No.) 54799-03-0, is a significant compound in the field of pharmaceutical chemistry and bioorganic synthesis. This compound, featuring a structural motif of aniline coupled with an aminomethyl group, has garnered attention due to its versatile applications in medicinal chemistry and material science. The dihydrochloride salt form enhances its solubility and stability, making it a valuable intermediate in the synthesis of more complex molecules.

The molecular structure of 4-(Aminomethyl)aniline dihydrochloride consists of a benzene ring substituted with an amino group at the para position relative to a methyl group, which is further functionalized with an aminomethyl side chain. This unique arrangement imparts distinct chemical properties that make it useful in various synthetic pathways. The presence of both primary and secondary amine functionalities allows for multiple reaction possibilities, including nucleophilic substitution, condensation reactions, and metal coordination, which are pivotal in drug development and catalysis.

In recent years, 4-(Aminomethyl)aniline dihydrochloride has been explored in the development of novel therapeutic agents. Its bifunctional nature—combining the aromatic stability of aniline with the reactivity of aminomethyl groups—has made it a building block for designing small-molecule inhibitors targeting various biological pathways. For instance, studies have demonstrated its utility in synthesizing compounds that interact with enzymes involved in metabolic disorders and cancer progression. The dihydrochloride salt form ensures consistent reactivity and handling properties, which are critical for high-throughput screening and industrial-scale applications.

One of the most compelling aspects of 4-(Aminomethyl)aniline dihydrochloride is its role in constructing pharmacophores that exhibit significant binding affinity to biological targets. Researchers have leveraged its structural features to develop molecules with potential applications in neurodegenerative diseases, where precise modulation of protein-protein interactions is essential. The aminomethyl group can be further derivatized to introduce additional functionalities, such as hydrophobic or charged moieties, tailoring the compound’s pharmacokinetic profile for optimal therapeutic efficacy.

The synthesis of 4-(Aminomethyl)aniline dihydrochloride typically involves multi-step organic transformations starting from commercially available aromatic precursors. Advanced synthetic methodologies, including palladium-catalyzed cross-coupling reactions and transition-metal-mediated functionalization, have been employed to achieve high yields and purity. These techniques not only streamline the production process but also enable the introduction of structural diversity, facilitating the discovery of novel drug candidates.

Recent advancements in computational chemistry have further enhanced the utility of 4-(Aminomethyl)aniline dihydrochloride. Molecular modeling studies have been conducted to predict its interactions with biological targets, providing insights into binding modes and potential side effects. These computational approaches complement experimental work by allowing rapid screening of virtual libraries derived from this compound scaffold. Such integrative strategies accelerate the drug discovery pipeline by identifying promising candidates early in the development process.

In material science, 4-(Aminomethyl)aniline dihydrochloride has found applications in designing functional materials with tailored properties. Its ability to participate in coordination chemistry has been exploited to develop metal-organic frameworks (MOFs) and supramolecular assemblies that exhibit unique optical and electronic characteristics. These materials are being investigated for use in sensors, catalysts, and energy storage devices, highlighting the compound’s broad utility beyond pharmaceuticals.

The safety profile of 4-(Aminomethyl)aniline dihydrochloride is another critical consideration in its application. While it does not pose significant hazards under standard handling conditions, appropriate precautions must be taken to prevent exposure during synthesis and purification. Standard laboratory practices, such as wearing personal protective equipment (PPE) and working in well-ventilated areas, are recommended to ensure safe usage. Furthermore, regulatory guidelines provide frameworks for its responsible handling and disposal.

The future prospects for 4-(Aminomethyl)aniline dihydrochloride are promising, with ongoing research exploring new synthetic routes and applications. Innovations in green chemistry aim to reduce the environmental impact of its production by minimizing waste and energy consumption. Additionally, interdisciplinary collaborations between chemists, biologists, and engineers are expected to yield novel derivatives with enhanced functionalities suitable for diverse industrial applications.

In conclusion,4-(Aminomethyl)aniline dihydrochloride (CAS No. 54799-03-0) is a multifaceted compound with significant potential in pharmaceuticals and materials science. Its unique structural features enable diverse synthetic possibilities, making it a valuable asset for drug discovery and material design. As research continues to uncover new applications for this compound,4-(Aminomethyl)aniline dihydrochloride will undoubtedly remain at the forefront of innovation in chemical sciences.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:54799-03-0)4-(AMINOMETHYL)ANILINE DIHYDROCHLORIDE
sfd17398
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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