Cas no 90390-17-3 (N-(2,5-dichlorobenzyl)ethanamine)
N-(2,5-dichlorobenzyl)ethanamine Chemical and Physical Properties
Names and Identifiers
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- N-(2,5-dichlorobenzyl)ethanamine
- Benzenemethanamine, 2,5-dichloro-N-ethyl-
- AKOS009344888
- CHEMBL1178123
- (2,5-Dichloro-benzyl)-ethyl-amine
- SCHEMBL18685158
- SB77734
- DB-234716
- N-[(2,5-dichlorophenyl)methyl]ethanamine
- DTXSID60920412
- 90390-17-3
- [(2,5-DICHLOROPHENYL)METHYL](ETHYL)AMINE
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- MDL: MFCD11212444
- Inchi: 1S/C9H11Cl2N/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3
- InChI Key: YESYSJRLNWOYIG-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1CNCC)Cl
Computed Properties
- Exact Mass: 203.026855
- Monoisotopic Mass: 203.026855
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 130
- 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
- Topological Polar Surface Area: 12
- XLogP3: 2.9
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Boiling Point: 256.7±25.0 °C at 760 mmHg
- Flash Point: 109.0±23.2 °C
- Refractive Index: 1.54
- Vapor Pressure: 0.0±0.5 mmHg at 25°C
N-(2,5-dichlorobenzyl)ethanamine Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- 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-(2,5-dichlorobenzyl)ethanamine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 088679-1g |
2,5-Dichloro-benzyl)-ethyl-amine |
90390-17-3 | 1g |
£549.00 | 2022-03-01 |
N-(2,5-dichlorobenzyl)ethanamine Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
Additional information on N-(2,5-dichlorobenzyl)ethanamine
Professional Introduction to N-(2,5-dichlorobenzyl)ethanamine (CAS No. 90390-17-3)
N-(2,5-dichlorobenzyl)ethanamine, identified by the Chemical Abstracts Service Number (CAS No.) 90390-17-3, is a significant compound in the field of chemical and pharmaceutical research. This compound has garnered attention due to its unique structural properties and potential applications in various scientific domains. The presence of two chlorine atoms at the 2 and 5 positions on the benzyl ring imparts distinct reactivity and makes it a valuable intermediate in synthetic chemistry.
The molecular structure of N-(2,5-dichlorobenzyl)ethanamine consists of an ethylamine group attached to a 2,5-dichlorobenzyl moiety. This configuration allows for diverse chemical transformations, making it a versatile building block in organic synthesis. Researchers have explored its utility in the development of novel pharmaceuticals, agrochemicals, and specialty chemicals. The dichlorobenzyl group enhances the compound's ability to participate in nucleophilic substitution reactions, which is crucial for constructing more complex molecules.
In recent years, N-(2,5-dichlorobenzyl)ethanamine has been investigated for its role in medicinal chemistry. Its structural features make it a potential precursor for drugs targeting various biological pathways. For instance, studies have demonstrated its utility in synthesizing analogs that exhibit antimicrobial and anti-inflammatory properties. The dichloro substitution pattern on the benzene ring contributes to increased lipophilicity, which can improve drug absorption and bioavailability.
The compound's reactivity also makes it a candidate for material science applications. Researchers have utilized N-(2,5-dichlorobenzyl)ethanamine to develop advanced polymers and coatings with enhanced thermal stability and mechanical strength. These properties are particularly valuable in industries requiring durable and high-performance materials. Additionally, the compound's ability to undergo cross-coupling reactions has opened new avenues for creating conjugated polymers used in organic electronics.
Recent advancements in computational chemistry have further highlighted the importance of N-(2,5-dichlorobenzyl)ethanamine. Molecular modeling studies suggest that its structure can be optimized for better binding affinity to biological targets. This has led to the design of more effective drug candidates with reduced side effects. The integration of machine learning algorithms has accelerated the discovery process by predicting optimal reaction conditions and product yields.
The synthesis of N-(2,5-dichlorobenzyl)ethanamine involves multi-step organic reactions that require precise control over reaction conditions. Techniques such as palladium-catalyzed cross-coupling and nucleophilic aromatic substitution are commonly employed. These methods ensure high yields and purity, which are essential for pharmaceutical applications. The compound's stability under various conditions makes it suitable for large-scale production without significant degradation.
In conclusion, N-(2,5-dichlorobenzyl)ethanamine (CAS No. 90390-17-3) is a multifaceted compound with broad applications in pharmaceuticals and material science. Its unique structural features enable diverse chemical transformations, making it a valuable intermediate in synthetic chemistry. Ongoing research continues to uncover new possibilities for this compound, reinforcing its significance in modern chemical research.
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