Cas no 31081-14-8 (Guanidine,N,N,N'-trimethyl-)
Guanidine,N,N,N'-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Guanidine,N,N,N'-trimethyl-
- 1,1,2-trimethylguanidine
- (+-)-1,1,3-Trimethyl-cyclopentan
- (+-)-1,1,3-trimethyl-cyclopentane
- 1,1,3-Trimethyl cyclopentane
- 1,1,3-Trimethyl-cyclopentan
- 1,1,3-trimethyl-cyclopentane
- 1,1,3-Trimethylg
- 1,1,3-trimethylguanidine
- 1,3-Trimethylcyclopentane
- AC1L2GMY
- AGN-PC-0D749B
- Cyclopentane,1,1,3-trimethyl-
- Cyclopentane,1,3-trimethyl-
- N,N,N'-Trimethyl-guanidin
- NSC73945
- Trimethyl-1,1,3-cyclopentan
- NQOFYFRKWDXGJP-UHFFFAOYSA-N
- 31081-41-1
- SCHEMBL10288873
- EN300-6491925
- NSC227864
- trimethylguanidin
- N,N,N''-trimethylguanidine
- Guanidine,1,3-trimethyl-
- Guanidine,N,N'-trimethyl-
- NSC-227864
- 31081-14-8
- N,N'-trimethylguanidine
- SCHEMBL244908
- DTXSID30185031
- AKOS011644705
- N,N,N'-Trimethylguanidine
-
- Inchi: 1S/C4H11N3/c1-6-4(5)7(2)3/h1-3H3,(H2,5,6)
- InChI Key: NQOFYFRKWDXGJP-UHFFFAOYSA-N
- SMILES: N(C)(C)/C(/N)=N/C
Computed Properties
- Exact Mass: 101.09543
- Monoisotopic Mass: 101.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 75
- 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: -0.7
- Topological Polar Surface Area: 41.6?2
Experimental Properties
- PSA: 41.62
- LogP: 0.19280
Guanidine,N,N,N'-trimethyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-6491925-0.05g |
N,N,N''-trimethylguanidine |
31081-14-8 | 0.05g |
$612.0 | 2023-05-31 | ||
| Enamine | EN300-6491925-0.1g |
N,N,N''-trimethylguanidine |
31081-14-8 | 0.1g |
$640.0 | 2023-05-31 | ||
| Enamine | EN300-6491925-0.25g |
N,N,N''-trimethylguanidine |
31081-14-8 | 0.25g |
$670.0 | 2023-05-31 | ||
| Enamine | EN300-6491925-0.5g |
N,N,N''-trimethylguanidine |
31081-14-8 | 0.5g |
$699.0 | 2023-05-31 | ||
| Enamine | EN300-6491925-1.0g |
N,N,N''-trimethylguanidine |
31081-14-8 | 1g |
$728.0 | 2023-05-31 | ||
| Enamine | EN300-6491925-2.5g |
N,N,N''-trimethylguanidine |
31081-14-8 | 2.5g |
$1428.0 | 2023-05-31 | ||
| Enamine | EN300-6491925-5.0g |
N,N,N''-trimethylguanidine |
31081-14-8 | 5g |
$2110.0 | 2023-05-31 | ||
| Enamine | EN300-6491925-10.0g |
N,N,N''-trimethylguanidine |
31081-14-8 | 10g |
$3131.0 | 2023-05-31 |
Guanidine,N,N,N'-trimethyl- Related Literature
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Mi-Young Kim,Gon Seo,O Zoon Kwon,Duk Rye Chang Chem. Commun. 2009 3110
-
5. 235. Antiplasmodial action and chemical constitution. Part VIII. Guanidines and diguanidesHarold King,Isabel M. Tonkin J. Chem. Soc. 1946 1063
Additional information on Guanidine,N,N,N'-trimethyl-
Introduction to Guanidine,N,N,N'-trimethyl- (CAS No. 31081-14-8)
Guanidine,N,N,N'-trimethyl-, with the chemical formula C?H?N?, is a significant compound in the field of pharmaceuticals and biochemistry. Its CAS number, 31081-14-8, uniquely identifies it in scientific literature and industrial applications. This compound is a derivative of guanidine, featuring three methyl groups attached to the nitrogen atoms, which imparts unique chemical properties making it valuable in various synthetic and biological processes.
The molecular structure of Guanidine,N,N,N'-trimethyl- consists of a central guanidine core with three methyl groups, enhancing its stability and reactivity compared to its parent compound. This modification makes it a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The compound's ability to act as a nucleophile and a base has been leveraged in multiple synthetic pathways, contributing to its widespread use in research and industry.
In recent years, Guanidine,N,N,N'-trimethyl- has garnered attention for its role in medicinal chemistry. Its derivatives have been explored as potential therapeutic agents due to their ability to interact with biological targets. For instance, modifications of this compound have shown promise in the development of antimicrobial and antiviral drugs. The unique electronic properties of the methylated guanidine moiety allow for selective binding to biological receptors, making it an attractive scaffold for drug design.
One of the most compelling applications of Guanidine,N,N,N'-trimethyl- is in the synthesis of protease inhibitors. Proteases are enzymes essential for various physiological processes, and their inhibition is a key strategy in treating diseases such as cancer and HIV. Researchers have utilized derivatives of this compound to develop inhibitors that target specific proteases, demonstrating high efficacy in preclinical studies. The structural flexibility provided by the methyl groups allows for fine-tuning of the inhibitor's properties, optimizing its binding affinity and selectivity.
Furthermore, Guanidine,N,N,N'-trimethyl- has been investigated for its potential role in gene therapy. Its ability to form stable complexes with nucleic acids has been exploited in the development of non-viral vector systems for delivering therapeutic genes. These vectors are designed to protect genetic material during delivery and release it at targeted sites within the body. The compound's biocompatibility and stability make it an ideal candidate for such applications, contributing to advancements in gene therapy technologies.
The industrial significance of Guanidine,N,N,N'-trimethyl- cannot be overstated. Its synthesis involves well-established chemical pathways that can be scaled up for large-scale production. The compound's derivatives are used as catalysts and reagents in various chemical reactions, facilitating the production of fine chemicals and pharmaceuticals. The demand for high-purity forms of this compound has driven innovations in synthetic methodologies, ensuring consistent quality and yield.
Environmental considerations also play a role in the utilization of Guanidine,N,N,N'-trimethyl-. Efforts have been made to develop greener synthetic routes that minimize waste and reduce energy consumption. These sustainable practices align with global initiatives to promote environmentally friendly chemical manufacturing. By optimizing production processes, industries can reduce their ecological footprint while maintaining high standards of product quality.
The future prospects for Guanidine,N,N,N'-trimethyl- are promising, with ongoing research exploring new applications and improving existing ones. Advances in computational chemistry have enabled more accurate predictions of molecular interactions, aiding in the design of novel derivatives with enhanced properties. Additionally, collaborations between academia and industry are fostering innovation, leading to faster translation of laboratory discoveries into practical applications.
In conclusion, Guanidine,N,N,N'-trimethyl- (CAS No. 31081-14-8) is a multifaceted compound with significant implications in pharmaceuticals, biochemistry, and industrial chemistry. Its unique structure and properties make it indispensable in various applications, from drug development to sustainable manufacturing practices. As research continues to uncover new possibilities, this compound is poised to play an even greater role in advancing scientific and technological progress.
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