Cas no 392314-08-8 (1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one)
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one Chemical and Physical Properties
Names and Identifiers
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- 1-(2-aminoethyl)-1,3-dihydro-2H-Imidazol-2-one
- 2H-Imidazol-2-one,1-(2-aminoethyl)-1,3-dihydro-(9CI)
- 1-(2-aminoethyl)-2-imidazole
- 2H-Imidazol-2-one,1-(2-aminoethyl)-1,3-dihydro-
- 1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one
- EN300-149412
- 1-(2-Aminoethyl)-1H-imidazol-2(3H)-one
- SCHEMBL393483
- 1-(2-Aminoethyl)-1,3-dihydroimidazol-2-one
- 1-(2-Amino-ethyl)-1,3-dihydro-imidazol-2-one
- 3-(2-aminoethyl)-1H-imidazol-2-one
- 1-(2-aminoethyl)-2-imidazolone
- 392314-08-8
- IPBNQTRHMAXPRJ-UHFFFAOYSA-N
- AKOS006344244
-
- Inchi: 1S/C5H9N3O/c6-1-3-8-4-2-7-5(8)9/h2,4H,1,3,6H2,(H,7,9)
- InChI Key: IPBNQTRHMAXPRJ-UHFFFAOYSA-N
- SMILES: O=C1NC=CN1CCN
Computed Properties
- Exact Mass: 127.07467
- Monoisotopic Mass: 127.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 143
- 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: 58.4A^2
- XLogP3: -1.6
Experimental Properties
- PSA: 58.36
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-149412-0.05g |
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one |
392314-08-8 | 0.05g |
$719.0 | 2023-06-08 | ||
| Enamine | EN300-149412-0.1g |
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one |
392314-08-8 | 0.1g |
$755.0 | 2023-06-08 | ||
| Enamine | EN300-149412-0.25g |
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one |
392314-08-8 | 0.25g |
$789.0 | 2023-06-08 | ||
| Enamine | EN300-149412-0.5g |
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one |
392314-08-8 | 0.5g |
$823.0 | 2023-06-08 | ||
| Enamine | EN300-149412-1.0g |
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one |
392314-08-8 | 1g |
$857.0 | 2023-06-08 | ||
| Enamine | EN300-149412-2.5g |
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one |
392314-08-8 | 2.5g |
$1680.0 | 2023-06-08 | ||
| Enamine | EN300-149412-5.0g |
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one |
392314-08-8 | 5g |
$2485.0 | 2023-06-08 | ||
| Enamine | EN300-149412-10.0g |
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one |
392314-08-8 | 10g |
$3683.0 | 2023-06-08 | ||
| Enamine | EN300-149412-50mg |
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one |
392314-08-8 | 50mg |
$719.0 | 2023-09-28 | ||
| Enamine | EN300-149412-100mg |
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one |
392314-08-8 | 100mg |
$755.0 | 2023-09-28 |
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
Additional information on 1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one
Comprehensive Overview of 1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one (CAS No. 392314-08-8)
1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one, identified by its CAS number 392314-08-8, is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research. This compound features a unique imidazol-2-one core coupled with an aminoethyl side chain, making it a versatile intermediate in the synthesis of bioactive molecules. Its structural attributes contribute to its potential applications in drug discovery, particularly in targeting enzyme modulation and receptor interactions.
The growing interest in 1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one aligns with current trends in small-molecule therapeutics and precision medicine. Researchers are increasingly exploring its role in designing kinase inhibitors and GPCR-targeted drugs, addressing unmet medical needs in oncology and neurology. The compound's hydrogen-bonding capacity and rigid heterocyclic framework enhance its binding affinity, a property highly sought after in fragment-based drug design.
From a synthetic chemistry perspective, CAS 392314-08-8 serves as a key building block for N-heterocyclic scaffolds. Its aminoethyl moiety allows for facile derivatization, enabling the creation of libraries for high-throughput screening. Recent publications highlight its utility in click chemistry applications, particularly in constructing triazole-linked conjugates for proteolysis-targeting chimeras (PROTACs).
Analytical characterization of 1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one reveals excellent stability under physiological pH ranges, a critical factor for bioavailability optimization. Advanced techniques like LC-MS and NMR spectroscopy confirm its structural integrity, while computational studies predict favorable ADMET properties—addressing common queries about drug-likeness assessment in early-stage discovery.
The compound's relevance extends to bioconjugation strategies, where its primary amine group facilitates coupling with carboxylic acid-containing biomolecules. This feature proves invaluable in developing fluorescent probes and targeted delivery systems, topics frequently searched in chemical biology forums. Patent analyses indicate rising innovation activity around 392314-08-8, particularly in theranostic applications combining diagnostics and therapy.
Quality control protocols for CAS 392314-08-8 emphasize HPLC purity thresholds exceeding 98%, meeting stringent requirements for GMP-compliant synthesis. Storage recommendations typically suggest anhydrous conditions at -20°C to preserve the compound's amine functionality—a practical consideration often overlooked in laboratory handling discussions.
Emerging research explores the compound's potential in metal coordination chemistry, where its imidazolone ring acts as a chelating ligand for catalytic applications. This multidisciplinary appeal bridges organic synthesis with materials science, answering growing searches about hybrid organic-inorganic systems.
In regulatory contexts, 1-(2-aminoethyl)-2,3-dihydro-1H-imidazol-2-one falls under standard handling procedures for research chemicals, with no special restrictions noted in major chemical inventories. Its low ecotoxicity profile, as evidenced by OECD guideline testing, makes it environmentally preferable for green chemistry initiatives.
The scientific community continues to investigate structure-activity relationships involving this scaffold, with particular focus on electron-withdrawing modifications to enhance pharmacophore efficiency. These studies directly address trending searches about rational drug design strategies and molecular optimization techniques.
Commercial availability of 392314-08-8 through specialty chemical suppliers has increased significantly, reflecting demand from contract research organizations and academic laboratories. Pricing trends indicate cost reductions due to improved multi-step synthesis routes, a development frequently queried in procurement discussions.
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