Cas no 401-35-4 (N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine)
N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine Chemical and Physical Properties
Names and Identifiers
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- N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine
- N-[(2-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine
- AC1LCRRU
- Benzyl-(2-fluor-benzyl)-methyl-amin
- Benzyl-(2-fluoro-benzyl)-methyl-amine
- HMS1557G21
- STK111851
- TimTec1_008249
- N-Benzyl-2-fluoro-N-MethylbenzylaMine
- 401-35-4
- CHEMBL1618193
- AKOS000614036
- DB-255627
- N-Benzyl-2-fluoro-N-MethylbenzylaMine, 97%
- DTXSID80349601
- SB80442
- N-Benzyl-2-fluoro-N-methylbenzylamine,97%
-
- MDL: MFCD06011313
- Inchi: 1S/C15H16FN/c1-17(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)16/h2-10H,11-12H2,1H3
- InChI Key: XDFWSUATJFROCP-UHFFFAOYSA-N
- SMILES: FC1C=CC=CC=1CN(C)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 229.126677677g/mol
- Monoisotopic Mass: 229.126677677g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 213
- 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: 3.5
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- Density: 1.1±0.1 g/cm3
- Boiling Point: 290.2±20.0 °C at 760 mmHg
- Flash Point: 129.3±21.8 °C
- Vapor Pressure: 0.0±0.6 mmHg at 25°C
N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019112862-1g |
N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine |
401-35-4 | 95% | 1g |
$400.00 | 2023-09-02 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1616298-1g |
N-benzyl-1-(2-fluorophenyl)-N-methylmethanamine |
401-35-4 | 98% | 1g |
¥2121.00 | 2024-05-15 | |
| Crysdot LLC | CD12074919-5g |
N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine |
401-35-4 | 95+% | 5g |
$746 | 2024-07-24 |
N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine Suppliers
N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
Additional information on N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine
N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine: A Comprehensive Overview
N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine, also known by its CAS number 401-35-4, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound has garnered attention due to its unique structural properties and potential applications in drug development. The molecule consists of a benzyl group attached to a methylamine backbone, with a fluorine-substituted phenyl ring. This combination of functional groups contributes to its versatile reactivity and biological activity.
Recent studies have highlighted the importance of fluorine substitution in aromatic compounds, as it significantly influences the electronic properties and bioavailability of the molecule. In the case of N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine, the fluorine atom at the 2-position of the phenyl ring enhances the compound's lipophilicity, making it more suitable for crossing biological membranes. This characteristic is particularly valuable in drug design, where membrane permeability is a critical factor for efficacy.
The synthesis of N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine involves a multi-step process that typically begins with the preparation of intermediate compounds. One common approach is the nucleophilic substitution reaction, where a benzyl group is introduced onto a methylamine derivative. The subsequent fluorination step is carried out under controlled conditions to ensure selective substitution at the desired position on the phenyl ring. Researchers have explored various catalysts and reaction conditions to optimize this process, leading to higher yields and better purity of the final product.
One of the most promising applications of N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine lies in its potential as a precursor for more complex pharmaceutical compounds. Its structure serves as a foundation for further functionalization, enabling chemists to introduce additional groups that enhance bioactivity or target specific receptors. For instance, recent research has focused on modifying this compound to develop selective inhibitors for certain enzymes involved in disease pathways.
In addition to its pharmacological applications, N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine has shown promise in materials science. Its ability to form stable complexes with metal ions makes it a candidate for use in catalysis or as a building block for advanced materials. Scientists are currently investigating its potential as a ligand in transition metal complexes, which could find applications in energy storage or catalytic processes.
From an environmental perspective, understanding the degradation pathways of N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine is crucial for assessing its impact on ecosystems. Recent studies have examined its biodegradation under various conditions, revealing that it undergoes hydrolysis under alkaline conditions and microbial degradation in soil environments. These findings are essential for ensuring sustainable practices in its production and disposal.
Looking ahead, advancements in computational chemistry are expected to play a pivotal role in furthering our understanding of N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine's properties. Quantum mechanical calculations are being used to predict its interaction with biological systems at an atomic level, providing insights into its binding affinities and selectivity profiles. Such computational tools are revolutionizing drug discovery by reducing reliance on time-consuming experimental methods.
In conclusion, N-Benzyl-1-(2-fluorophenyl)-N-methylmethanamine stands out as a versatile compound with diverse applications across multiple disciplines. Its unique structure, combined with recent advancements in synthesis and application techniques, positions it as a valuable asset in both academic research and industrial development. As research continues to uncover new possibilities for this compound, its role in shaping future innovations is likely to grow significantly.
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