Cas no 1866721-79-0 (3-Amino-3-(2-methylcyclohexyl)propanoic acid)
3-Amino-3-(2-methylcyclohexyl)propanoic acid Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanepropanoic acid, β-amino-2-methyl-
- 1866721-79-0
- 3-Amino-3-(2-methylcyclohexyl)propanoic acid
- EN300-1286627
- 3-Amino-3-(2-methylcyclohexyl)propanoicacid
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- Inchi: 1S/C10H19NO2/c1-7-4-2-3-5-8(7)9(11)6-10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)
- InChI Key: TUCAPWJJIBSTQZ-UHFFFAOYSA-N
- SMILES: OC(CC(C1CCCCC1C)N)=O
Computed Properties
- Exact Mass: 185.141578849g/mol
- Monoisotopic Mass: 185.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 182
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.6
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- Density: 1.047±0.06 g/cm3(Predicted)
- Boiling Point: 317.7±25.0 °C(Predicted)
- pka: 3.62±0.12(Predicted)
3-Amino-3-(2-methylcyclohexyl)propanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1286627-1.0g |
3-amino-3-(2-methylcyclohexyl)propanoic acid |
1866721-79-0 | 1g |
$0.0 | 2023-06-07 | ||
| Enamine | EN300-1286627-50mg |
3-amino-3-(2-methylcyclohexyl)propanoic acid |
1866721-79-0 | 50mg |
$647.0 | 2023-10-01 | ||
| Enamine | EN300-1286627-100mg |
3-amino-3-(2-methylcyclohexyl)propanoic acid |
1866721-79-0 | 100mg |
$678.0 | 2023-10-01 | ||
| Enamine | EN300-1286627-250mg |
3-amino-3-(2-methylcyclohexyl)propanoic acid |
1866721-79-0 | 250mg |
$708.0 | 2023-10-01 | ||
| Enamine | EN300-1286627-500mg |
3-amino-3-(2-methylcyclohexyl)propanoic acid |
1866721-79-0 | 500mg |
$739.0 | 2023-10-01 | ||
| Enamine | EN300-1286627-1000mg |
3-amino-3-(2-methylcyclohexyl)propanoic acid |
1866721-79-0 | 1000mg |
$770.0 | 2023-10-01 | ||
| Enamine | EN300-1286627-2500mg |
3-amino-3-(2-methylcyclohexyl)propanoic acid |
1866721-79-0 | 2500mg |
$1509.0 | 2023-10-01 | ||
| Enamine | EN300-1286627-5000mg |
3-amino-3-(2-methylcyclohexyl)propanoic acid |
1866721-79-0 | 5000mg |
$2235.0 | 2023-10-01 | ||
| Enamine | EN300-1286627-10000mg |
3-amino-3-(2-methylcyclohexyl)propanoic acid |
1866721-79-0 | 10000mg |
$3315.0 | 2023-10-01 |
3-Amino-3-(2-methylcyclohexyl)propanoic acid Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
Additional information on 3-Amino-3-(2-methylcyclohexyl)propanoic acid
3-Amino-3-(2-methylcyclohexyl)propanoic Acid: A Comprehensive Overview
The compound 3-Amino-3-(2-methylcyclohexyl)propanoic acid, with the CAS number 1866721-79-0, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which combines an amino group and a carboxylic acid group attached to a cyclohexane ring substituted with a methyl group. The combination of these functional groups and the cyclic structure provides this molecule with a diverse range of potential applications, particularly in drug design and development.
Recent advancements in synthetic chemistry have enabled researchers to explore novel methods for the synthesis of 3-Amino-3-(2-methylcyclohexyl)propanoic acid. One such approach involves the use of asymmetric catalysis, which not only enhances the efficiency of the synthesis process but also allows for the selective formation of enantiomers. This is particularly important in pharmaceutical applications, where stereochemistry plays a crucial role in determining the efficacy and safety of a drug.
The structural properties of 3-Amino-3-(2-methylcyclohexyl)propanoic acid make it an interesting candidate for studying molecular interactions. The cyclohexane ring contributes to the molecule's rigidity, while the amino and carboxylic acid groups provide sites for hydrogen bonding and other intermolecular interactions. These properties are being leveraged in the development of new materials, including biocompatible polymers and drug delivery systems.
In terms of biological activity, 3-Amino-3-(2-methylcyclohexyl)propanoic acid has shown promise as a precursor for bioactive compounds. For instance, it can be used as a building block for peptide synthesis, where its unique structure can impart specific functional properties to the resulting peptides. Additionally, recent studies have explored its potential as an inhibitor of certain enzymes, highlighting its role in therapeutic interventions.
The application of computational chemistry tools has further enhanced our understanding of this compound's behavior at the molecular level. Molecular docking studies have revealed that 3-Amino-3-(2-methylcyclohexyl)propanoic acid exhibits favorable binding affinities towards several protein targets, suggesting its potential as a lead compound in drug discovery programs. Furthermore, quantum mechanical calculations have provided insights into its electronic structure, which is crucial for predicting its reactivity in various chemical environments.
In conclusion, 3-Amino-3-(2-methylcyclohexyl)propanoic acid, with CAS number 1866721-79-0, represents a versatile molecule with significant potential across multiple disciplines. Its unique structure, combined with advancements in synthetic and computational techniques, positions it as a valuable tool in both academic research and industrial applications. As research continues to unfold, this compound is expected to contribute even more to our understanding of molecular design and function.
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