Cas no 887581-80-8 ((4-chloro-1H-indol-3-yl)methanamine)
(4-chloro-1H-indol-3-yl)methanamine Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-methanamine,4-chloro-
- (4-chloro-1H-indol-3-yl)methanamine
- 4-chloro-1H-indol-3-methylamine
- 1-(4-Chloro-1H-indol-3-yl)methanamine
- DTXSID50651647
- 887581-80-8
- EN300-1275670
- AKOS006295359
-
- MDL: MFCD06657149
- Inchi: 1S/C9H9ClN2/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,12H,4,11H2
- InChI Key: KDZZNYDPHJRGEA-UHFFFAOYSA-N
- SMILES: ClC1=CC=CC2=C1C(CN)=CN2
Computed Properties
- Exact Mass: 180.0454260g/mol
- Monoisotopic Mass: 180.0454260g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 163
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.5
- Topological Polar Surface Area: 41.8?2
(4-chloro-1H-indol-3-yl)methanamine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1275670-0.05g |
(4-chloro-1H-indol-3-yl)methanamine |
887581-80-8 | 0.05g |
$888.0 | 2023-06-08 | ||
| Enamine | EN300-1275670-0.1g |
(4-chloro-1H-indol-3-yl)methanamine |
887581-80-8 | 0.1g |
$930.0 | 2023-06-08 | ||
| Enamine | EN300-1275670-0.25g |
(4-chloro-1H-indol-3-yl)methanamine |
887581-80-8 | 0.25g |
$972.0 | 2023-06-08 | ||
| Enamine | EN300-1275670-0.5g |
(4-chloro-1H-indol-3-yl)methanamine |
887581-80-8 | 0.5g |
$1014.0 | 2023-06-08 | ||
| Enamine | EN300-1275670-1.0g |
(4-chloro-1H-indol-3-yl)methanamine |
887581-80-8 | 1g |
$1057.0 | 2023-06-08 | ||
| Enamine | EN300-1275670-2.5g |
(4-chloro-1H-indol-3-yl)methanamine |
887581-80-8 | 2.5g |
$2071.0 | 2023-06-08 | ||
| Enamine | EN300-1275670-5.0g |
(4-chloro-1H-indol-3-yl)methanamine |
887581-80-8 | 5g |
$3065.0 | 2023-06-08 | ||
| Enamine | EN300-1275670-10.0g |
(4-chloro-1H-indol-3-yl)methanamine |
887581-80-8 | 10g |
$4545.0 | 2023-06-08 | ||
| Enamine | EN300-1275670-50mg |
(4-chloro-1H-indol-3-yl)methanamine |
887581-80-8 | 50mg |
$888.0 | 2023-10-01 | ||
| Enamine | EN300-1275670-100mg |
(4-chloro-1H-indol-3-yl)methanamine |
887581-80-8 | 100mg |
$930.0 | 2023-10-01 |
(4-chloro-1H-indol-3-yl)methanamine Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
Additional information on (4-chloro-1H-indol-3-yl)methanamine
Comprehensive Overview of (4-chloro-1H-indol-3-yl)methanamine (CAS No. 887581-80-8): Properties, Applications, and Research Insights
(4-chloro-1H-indol-3-yl)methanamine, identified by its CAS number 887581-80-8, is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This indole derivative, characterized by a chloro-substituted indole core and a primary amine functional group, serves as a versatile intermediate in synthetic chemistry. Its molecular structure, C9H9ClN2, offers unique reactivity, making it valuable for designing novel bioactive molecules. Researchers frequently explore its potential in drug discovery, particularly for targeting neurological disorders and metabolic pathways, aligning with current trends in precision medicine and small-molecule therapeutics.
The compound’s synthesis typically involves multi-step organic reactions, including Fischer indole synthesis or reductive amination of appropriate precursors. Its physicochemical properties, such as a molecular weight of 180.63 g/mol and moderate lipophilicity, influence its solubility and bioavailability—a critical consideration for medicinal chemistry applications. Recent studies highlight its role in developing serotonin receptor modulators, a hot topic in mental health research, where compounds like these are investigated for their potential in treating anxiety and depression.
In the context of green chemistry, researchers are optimizing synthetic routes for (4-chloro-1H-indol-3-yl)methanamine to reduce environmental impact. Techniques such as catalytic hydrogenation and microwave-assisted synthesis are being explored to enhance yield and purity while minimizing waste. These advancements resonate with the growing demand for sustainable pharmaceutical manufacturing, a frequently searched topic among industry professionals and academics.
Analytical characterization of CAS 887581-80-8 employs advanced techniques like HPLC, NMR spectroscopy, and mass spectrometry, ensuring compliance with quality control standards. Its stability under various pH conditions and thermal profiles is meticulously documented, addressing common queries about compound storage and handling protocols in laboratory settings.
Beyond pharmaceuticals, (4-chloro-1H-indol-3-yl)methanamine finds niche applications in agrochemical research, where its structural motif is leveraged to design crop protection agents. This aligns with global interest in food security and sustainable agriculture, topics frequently trending in scientific forums and policy discussions.
Ongoing research explores the compound’s potential in cancer therapeutics, particularly as a scaffold for kinase inhibitors. Its ability to interact with biological targets underscores its relevance in personalized medicine, a field dominating biomedical search queries. Collaborative efforts between computational chemists and biologists aim to predict its ADMET properties (absorption, distribution, metabolism, excretion, and toxicity) using AI-driven models, a cutting-edge approach frequently discussed in scientific literature.
In summary, (4-chloro-1H-indol-3-yl)methanamine (887581-80-8) exemplifies the intersection of chemical innovation and applied research. Its multifaceted applications—from central nervous system drug development to agricultural chemistry—reflect its adaptability to diverse scientific challenges. As the demand for targeted therapies and eco-friendly synthesis grows, this compound remains a focal point for interdisciplinary research, answering pressing questions in modern science.
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