Cas no 76765-62-3 (3-Amino-N-isopropyl-4-methylbenzamide)
3-Amino-N-isopropyl-4-methylbenzamide Chemical and Physical Properties
Names and Identifiers
-
- 3-Amino-N-isopropyl-4-methylbenzamide
- LogP
- 3-amino-4-methyl-N-propan-2-ylbenzamide
- AKOS000113285
- 76765-62-3
- DTXSID00504230
- BS-36264
- MFCD09049376
- 3-Amino-4-methyl-N-(propan-2-yl)benzamide
- CS-0118572
- SCHEMBL13576993
- DB-112503
-
- MDL: MFCD09049376
- Inchi: 1S/C11H16N2O/c1-7(2)13-11(14)9-5-4-8(3)10(12)6-9/h4-7H,12H2,1-3H3,(H,13,14)
- InChI Key: BOJJGTFACPPFRY-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC(C)=C(C=1)N)NC(C)C
Computed Properties
- Exact Mass: 192.126263138g/mol
- Monoisotopic Mass: 192.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 204
- 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: 0.9
- Topological Polar Surface Area: 55.1?2
3-Amino-N-isopropyl-4-methylbenzamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB218684-1 g |
3-Amino-N-isopropyl-4-methylbenzamide; 95% |
76765-62-3 | 1g |
€85.80 | 2022-09-01 | ||
| abcr | AB218684-5 g |
3-Amino-N-isopropyl-4-methylbenzamide; 95% |
76765-62-3 | 5g |
€196.20 | 2022-09-01 | ||
| abcr | AB218684-10 g |
3-Amino-N-isopropyl-4-methylbenzamide; 95% |
76765-62-3 | 10g |
€289.00 | 2022-09-01 | ||
| ChemScence | CS-0118572-5g |
3-Amino-n-isopropyl-4-methylbenzamide |
76765-62-3 | 5g |
$111.0 | 2022-04-26 | ||
| TRC | A638538-250mg |
3-amino-N-isopropyl-4-methylbenzamide |
76765-62-3 | 250mg |
$ 50.00 | 2022-06-07 | ||
| TRC | A638538-500mg |
3-amino-N-isopropyl-4-methylbenzamide |
76765-62-3 | 500mg |
$ 65.00 | 2022-06-07 | ||
| TRC | A638538-2.5g |
3-amino-N-isopropyl-4-methylbenzamide |
76765-62-3 | 2.5g |
$ 115.00 | 2022-06-07 | ||
| eNovation Chemicals LLC | Y1240368-5g |
3-AMINO-N-ISOPROPYL-4-METHYLBENZAMIDE |
76765-62-3 | 95% | 5g |
$175 | 2024-06-07 | |
| abcr | AB218684-1g |
3-Amino-N-isopropyl-4-methylbenzamide, 95%; . |
76765-62-3 | 95% | 1g |
€75.40 | 2025-04-16 | |
| abcr | AB218684-5g |
3-Amino-N-isopropyl-4-methylbenzamide, 95%; . |
76765-62-3 | 95% | 5g |
€132.30 | 2025-04-16 |
3-Amino-N-isopropyl-4-methylbenzamide Suppliers
3-Amino-N-isopropyl-4-methylbenzamide Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
Additional information on 3-Amino-N-isopropyl-4-methylbenzamide
Introduction to 3-Amino-N-isopropyl-4-methylbenzamide (CAS No. 76765-62-3) and Its Emerging Applications in Chemical Biology
The compound 3-Amino-N-isopropyl-4-methylbenzamide (CAS No. 76765-62-3) represents a fascinating molecule with significant potential in the field of chemical biology and pharmaceutical research. As a derivative of benzamide, this compound exhibits structural features that make it a valuable scaffold for the development of novel bioactive agents. The presence of both an amino group and an isopropyl substituent on the benzamide core imparts unique chemical properties, enabling diverse interactions with biological targets.
Recent advancements in drug discovery have highlighted the importance of small molecules that can modulate biological pathways with high specificity. 3-Amino-N-isopropyl-4-methylbenzamide has garnered attention due to its ability to interact with enzymes and receptors in a manner that suggests therapeutic utility. For instance, studies have demonstrated its potential as an inhibitor of certain proteases, which are critical in various pathological processes. The benzamide moiety, a well-known pharmacophore, contributes to the molecule's solubility and bioavailability, making it an attractive candidate for further development.
In the realm of medicinal chemistry, the optimization of 3-Amino-N-isopropyl-4-methylbenzamide has been driven by the need to enhance its pharmacokinetic properties while maintaining or improving its binding affinity to target proteins. Computational modeling and high-throughput screening have been instrumental in identifying derivatives with improved efficacy. The isopropyl group, in particular, plays a crucial role in stabilizing the molecule's conformation, which can influence its interaction with biological targets. This has led to the exploration of analogs with modified side chains as part of structure-activity relationship (SAR) studies.
One of the most compelling aspects of 3-Amino-N-isopropyl-4-methylbenzamide is its potential application in addressing neurological disorders. Emerging research suggests that this compound may modulate neurotransmitter systems by interacting with specific receptors or ion channels. The amino group provides a site for further functionalization, allowing chemists to tailor the molecule's properties for targeted therapy. For example, modifications designed to enhance blood-brain barrier penetration could make it a viable candidate for treating central nervous system (CNS) disorders.
The synthesis of 3-Amino-N-isopropyl-4-methylbenzamide involves multi-step organic reactions that highlight the compound's synthetic accessibility. While traditional methods have been employed, modern techniques such as flow chemistry and catalytic processes are being explored to improve yield and scalability. These advancements not only facilitate large-scale production but also enable the rapid synthesis of libraries of derivatives for screening purposes. The benzamide core itself is amenable to various chemical transformations, including amidation and alkylation, which expand its synthetic utility.
From a regulatory perspective, 3-Amino-N-isopropyl-4-methylbenzamide (CAS No. 76765-62-3) benefits from existing knowledge about benzamide derivatives, which have been extensively studied for their pharmacological properties. This reduces some of the uncertainties associated with novel compounds and accelerates the development process. However, rigorous testing is still required to ensure safety and efficacy before clinical translation can occur. Preclinical studies are underway to evaluate its potential as an anti-inflammatory agent, building on preliminary findings that suggest it may inhibit key inflammatory pathways.
The role of computational chemistry in understanding 3-Amino-N-isopropyl-4-methylbenzamide cannot be overstated. Molecular dynamics simulations and quantum mechanical calculations provide insights into how the molecule interacts with biological targets at an atomic level. These tools are particularly valuable for predicting binding affinities and identifying potential side effects early in the drug discovery process. By integrating experimental data with computational predictions, researchers can refine their strategies for optimizing this compound's therapeutic potential.
Future directions for research on 3-Amino-N-isopropyl-4-methylbenzamide include exploring its role in combination therapies and investigating its mechanism of action in greater detail. The ability to modulate multiple targets simultaneously could make it a powerful tool in treating complex diseases such as cancer or neurodegenerative disorders. Additionally, green chemistry principles are being applied to its synthesis to minimize environmental impact while maintaining high yields and purity standards.
In conclusion,3-Amino-N-isopropyl-4-methylbenzamide (CAS No. 76765-62-3) represents a promising entity in chemical biology with diverse applications across multiple therapeutic areas. Its unique structural features offer opportunities for innovation in drug design, while ongoing research continues to uncover new possibilities for its use in medicine and biotechnology.
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