Cas no 60601-74-3 (2-(Cyclohexylmethyl)pyrrolidine)
2-(Cyclohexylmethyl)pyrrolidine Chemical and Physical Properties
Names and Identifiers
-
- Pyrrolidine, 2-(cyclohexylmethyl)-
- 2-(cyclohexylmethyl)pyrrolidine
- 2-cyclohexylmethylpyrolidine
- 2-Cyclohexylmethylpyrrolidin
- 2-cyclohexylmethylpyrrolidine
- Pyrrolidine,2-(cyclohexylmethyl)
- 60601-74-3
- SCHEMBL11191021
- EN300-59992
- AB01161597-03
- DA-04477
- NCGC00340716-01
- AKOS008113531
- MFCD02663459
- Z234895791
- DTXSID70403347
- 2-(Cyclohexylmethyl)pyrrolidine
-
- MDL: MFCD02663459
- Inchi: 1S/C11H21N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h10-12H,1-9H2
- InChI Key: HTQOKLUJNQCMHG-UHFFFAOYSA-N
- SMILES: N1CCCC1CC1CCCCC1
Computed Properties
- Exact Mass: 167.16700
- Monoisotopic Mass: 167.167399674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 12?2
Experimental Properties
- Density: 0.9±0.1 g/cm3
- Boiling Point: 240.8±8.0 °C at 760 mmHg
- Flash Point: 96.7±16.5 °C
- PSA: 12.03000
- LogP: 3.03760
- Vapor Pressure: 0.0±0.5 mmHg at 25°C
2-(Cyclohexylmethyl)pyrrolidine Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-(Cyclohexylmethyl)pyrrolidine Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-(Cyclohexylmethyl)pyrrolidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM313207-1g |
2-(Cyclohexylmethyl)pyrrolidine |
60601-74-3 | 95% | 1g |
$*** | 2023-05-30 | |
| TRC | C986205-10mg |
2-(Cyclohexylmethyl)pyrrolidine |
60601-74-3 | 10mg |
$64.00 | 2023-05-18 | ||
| TRC | C986205-25mg |
2-(Cyclohexylmethyl)pyrrolidine |
60601-74-3 | 25mg |
$92.00 | 2023-05-18 | ||
| TRC | C986205-50mg |
2-(Cyclohexylmethyl)pyrrolidine |
60601-74-3 | 50mg |
$138.00 | 2023-05-18 | ||
| TRC | C986205-100mg |
2-(Cyclohexylmethyl)pyrrolidine |
60601-74-3 | 100mg |
$190.00 | 2023-05-18 | ||
| Chemenu | CM313207-1g |
2-(Cyclohexylmethyl)pyrrolidine |
60601-74-3 | 95% | 1g |
$480 | 2021-08-18 | |
| abcr | AB315861-100 mg |
2-(Cyclohexylmethyl)pyrrolidine; 95% |
60601-74-3 | 100mg |
€229.00 | 2023-04-26 | ||
| Enamine | EN300-59992-0.05g |
2-(cyclohexylmethyl)pyrrolidine |
60601-74-3 | 75% | 0.05g |
$88.0 | 2023-06-17 | |
| Enamine | EN300-59992-0.1g |
2-(cyclohexylmethyl)pyrrolidine |
60601-74-3 | 75% | 0.1g |
$132.0 | 2023-06-17 | |
| Enamine | EN300-59992-0.25g |
2-(cyclohexylmethyl)pyrrolidine |
60601-74-3 | 75% | 0.25g |
$188.0 | 2023-06-17 |
2-(Cyclohexylmethyl)pyrrolidine Suppliers
2-(Cyclohexylmethyl)pyrrolidine Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Additional information on 2-(Cyclohexylmethyl)pyrrolidine
Comprehensive Guide to 2-(Cyclohexylmethyl)pyrrolidine (CAS No. 60601-74-3): Properties, Applications, and Industry Insights
2-(Cyclohexylmethyl)pyrrolidine (CAS No. 60601-74-3) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This bicyclic amine derivative, featuring a pyrrolidine ring linked to a cyclohexylmethyl group, exhibits unique structural properties that make it valuable for synthetic applications. Its molecular formula C11H21N and moderate lipophilicity contribute to its versatility in drug discovery, particularly in modulating bioavailability and target engagement.
Recent trends in AI-driven drug design have amplified interest in 2-(Cyclohexylmethyl)pyrrolidine as a scaffold for bioactive molecules. Computational chemistry studies highlight its potential as a conformational constraint element in GPCR-targeted compounds, addressing frequent queries like "how to improve metabolic stability in small molecules." The compound's balanced steric profile and hydrogen bonding capacity align with current industry demands for fragment-based drug discovery (FBDD) building blocks.
From a synthetic chemistry perspective, 60601-74-3 serves as a valuable intermediate for constructing N-heterocyclic compounds. Its reactivity patterns enable diverse transformations, including reductive aminations and palladium-catalyzed couplings—topics frequently searched in organic synthesis forums. The cyclohexyl moiety provides controlled stereochemistry, making it relevant for studies on chiral auxiliaries and asymmetric catalysis.
Analytical characterization of 2-(Cyclohexylmethyl)pyrrolidine typically involves GC-MS, 1H/13C NMR, and HPLC methods. Researchers often search for "boiling point of cyclohexyl-substituted amines" (reported ~230°C for this compound) or "solubility in polar aprotic solvents," reflecting practical formulation considerations. The compound's logP value (~2.1) positions it favorably for blood-brain barrier penetration studies—a hot topic in neurological drug development.
In material science applications, the pyrrolidine-cyclohexyl hybrid structure demonstrates potential as a ligand for metal complexes. This addresses growing interest in transition metal catalysis for sustainable chemistry, with search terms like "nitrogen ligands for C-C coupling reactions" gaining traction. The compound's thermal stability (decomposition >300°C) also makes it suitable for high-temperature polymerization processes.
Quality control protocols for CAS 60601-74-3 emphasize purity verification through residual solvent analysis and water content determination—key concerns in current Good Manufacturing Practice (GMP) compliance. Industry professionals frequently inquire about "storage conditions for amine derivatives" (recommended: inert atmosphere, 2-8°C) and "compatibility with common protecting groups," reflecting its handling requirements.
Emerging applications include its use in ionic liquid formulations for battery electrolytes, coinciding with searches for "nitrogen-based electrolyte additives." The compound's low viscosity and thermal resilience meet demands from the energy storage sector, particularly in optimizing lithium-ion conductivity. This interdisciplinary potential makes 2-(Cyclohexylmethyl)pyrrolidine a compound of interest beyond traditional organic synthesis.
Environmental and safety assessments indicate that 60601-74-3 requires standard amine handling precautions, with particular attention to pH-neutral disposal methods—a subject increasingly searched in green chemistry circles. Its biodegradation profile and ecotoxicological data are becoming relevant for sustainability-focused research programs, aligning with global ESG (Environmental, Social, and Governance) trends in chemical development.
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