Cas no 54799-03-0 (4-(Aminomethyl)aniline dihydrochloride)
4-(Aminomethyl)aniline dihydrochloride Chemical and Physical Properties
Names and Identifiers
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- 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
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazard Category Code: 36/37/38
- Safety Instruction: S26; S36/37/39
- Storage Condition:Store at room temperature
- Risk Phrases:R36/37/38
4-(Aminomethyl)aniline dihydrochloride Customs Data
- HS CODE:2921590090
- Customs Data:
China Customs Code:
2921590090Overview:
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 |
54799-03-0 | ≥98% | 100g |
¥988.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A193875-25g |
4-(Aminomethyl)aniline dihydrochloride |
54799-03-0 | ≥98% | 25g |
¥318.90 | 2023-09-04 | |
| Fluorochem | 210251-1g |
4-(Aminomethyl)aniline dihydrochloride |
54799-03-0 | 95% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 210251-5g |
4-(Aminomethyl)aniline dihydrochloride |
54799-03-0 | 95% | 5g |
£17.00 | 2022-03-01 | |
| Fluorochem | 210251-10g |
4-(Aminomethyl)aniline dihydrochloride |
54799-03-0 | 95% | 10g |
£27.00 | 2022-03-01 | |
| Fluorochem | 210251-25g |
4-(Aminomethyl)aniline dihydrochloride |
54799-03-0 | 95% | 25g |
£53.00 | 2022-03-01 | |
| Alichem | A019148365-100g |
4-(Aminomethyl)aniline dihydrochloride |
54799-03-0 | 95% | 100g |
$208.06 | 2023-09-01 | |
| ChemScence | CS-0157497-25g |
4-(Aminomethyl)aniline dihydrochloride |
54799-03-0 | 99.99% | 25g |
$53.0 | 2022-04-27 | |
| ChemScence | CS-0157497-100g |
4-(Aminomethyl)aniline dihydrochloride |
54799-03-0 | 99.99% | 100g |
$147.0 | 2022-04-27 |
4-(Aminomethyl)aniline dihydrochloride Suppliers
4-(Aminomethyl)aniline dihydrochloride Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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