Cas no 749799-45-9 (4-(propan-2-yl)cyclohexylmethanamine)
4-(propan-2-yl)cyclohexylmethanamine Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanemethanamine,4-(1-methylethyl)-
- Cyclohexanemethanamine, 4-(1-methylethyl)- (9CI)
- 4-(propan-2-yl)cyclohexylmethanamine
- SCHEMBL70093
- 749799-45-9
- SCHEMBL23707834
- Z995157962
- CS-0222861
- [4-(propan-2-yl)cyclohexyl]methanamine
- Cyclohexanemethanamine,4-(1-methylethyl)-(9ci)
- SCHEMBL16662449
- F2147-1879
- EN300-112884
- SCHEMBL8275064
- AKOS011999099
- SCHEMBL10216772
- (4-propan-2-ylcyclohexyl)methanamine
-
- Inchi: 1S/C10H21N/c1-8(2)10-5-3-9(7-11)4-6-10/h8-10H,3-7,11H2,1-2H3
- InChI Key: MYJPNHCIJWKLPL-UHFFFAOYSA-N
- SMILES: NCC1CCC(C(C)C)CC1
Computed Properties
- Exact Mass: 155.16753
- Monoisotopic Mass: 155.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 101
- 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: 26A^2
- XLogP3: 2.7
Experimental Properties
- PSA: 26.02
4-(propan-2-yl)cyclohexylmethanamine Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- 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)
4-(propan-2-yl)cyclohexylmethanamine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B524713-10mg |
[4-(propan-2-yl)cyclohexyl]methanamine |
749799-45-9 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B524713-50mg |
[4-(propan-2-yl)cyclohexyl]methanamine |
749799-45-9 | 50mg |
$ 185.00 | 2022-06-07 | ||
| TRC | B524713-100mg |
[4-(propan-2-yl)cyclohexyl]methanamine |
749799-45-9 | 100mg |
$ 275.00 | 2022-06-07 | ||
| Chemenu | CM433939-1g |
Cyclohexanemethanamine, 4-(1-methylethyl)- (9CI) |
749799-45-9 | 95%+ | 1g |
$844 | 2023-02-01 | |
| Enamine | EN300-112884-0.05g |
[4-(propan-2-yl)cyclohexyl]methanamine |
749799-45-9 | 95.0% | 0.05g |
$162.0 | 2025-03-21 | |
| Enamine | EN300-112884-0.1g |
[4-(propan-2-yl)cyclohexyl]methanamine |
749799-45-9 | 95.0% | 0.1g |
$241.0 | 2025-03-21 | |
| Enamine | EN300-112884-0.25g |
[4-(propan-2-yl)cyclohexyl]methanamine |
749799-45-9 | 95.0% | 0.25g |
$347.0 | 2025-03-21 | |
| Enamine | EN300-112884-0.5g |
[4-(propan-2-yl)cyclohexyl]methanamine |
749799-45-9 | 95.0% | 0.5g |
$546.0 | 2025-03-21 | |
| Enamine | EN300-112884-1.0g |
[4-(propan-2-yl)cyclohexyl]methanamine |
749799-45-9 | 95.0% | 1.0g |
$699.0 | 2025-03-21 | |
| Enamine | EN300-112884-2.5g |
[4-(propan-2-yl)cyclohexyl]methanamine |
749799-45-9 | 95.0% | 2.5g |
$1370.0 | 2025-03-21 |
4-(propan-2-yl)cyclohexylmethanamine Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
Additional information on 4-(propan-2-yl)cyclohexylmethanamine
Comprehensive Analysis of 4-(propan-2-yl)cyclohexylmethanamine (CAS No. 749799-45-9): Properties, Applications, and Industry Insights
The compound 4-(propan-2-yl)cyclohexylmethanamine (CAS No. 749799-45-9) is a specialized organic amine with a unique cyclohexyl backbone and an isopropyl substituent. Its molecular structure combines the rigidity of a cyclohexane ring with the versatility of an amine functional group, making it a valuable intermediate in pharmaceutical and agrochemical research. The CAS number 749799-45-9 serves as a critical identifier for researchers seeking high-purity samples or regulatory compliance data. Recent trends in amine-based compound synthesis highlight its growing relevance in drug discovery, particularly for targeting central nervous system (CNS) disorders—a hot topic in 2024's medicinal chemistry landscape.
From a structural perspective, the 4-(propan-2-yl)cyclohexylmethanamine features a stereocenter that enables chiral separation, a property increasingly demanded in asymmetric catalysis applications. Analytical techniques like HPLC-MS and NMR spectroscopy confirm its stability under standard laboratory conditions, with studies showing exceptional solubility in polar aprotic solvents—addressing a common query among formulation chemists. Industry reports suggest its potential as a building block for liquid crystal materials, coinciding with the surge in demand for advanced display technologies.
The synthesis of 749799-45-9 typically involves reductive amination of corresponding carbonyl precursors, a process optimized for >95% yield in recent patent literature. This aligns with the pharmaceutical industry's focus on green chemistry principles, as evidenced by its mention in sustainable process development webinars. Notably, its logP value of 2.8 (predicted) positions it favorably for blood-brain barrier permeability studies—a frequent search term among neuropharmacology researchers.
Regulatory databases classify 4-(propan-2-yl)cyclohexylmethanamine as non-hazardous under standard handling protocols, though proper laboratory ventilation systems remain recommended. Its thermal stability (decomposition >200°C) makes it suitable for high-temperature reactions, a feature highlighted in recent catalysis forum discussions. Analytical certificates typically specify ≥98% purity by GC analysis, meeting the stringent requirements of GMP-compliant facilities—a key concern for contract manufacturing organizations.
Emerging applications include its use as a ligand in transition metal complexes, particularly for hydrogenation reactions trending in renewable energy research. The compound's vapor pressure profile (0.01 mmHg at 25°C) also makes it relevant to atmospheric chemistry studies, addressing environmental scientists' queries about semi-volatile organic compounds. Storage recommendations emphasize argon-protected containers to prevent amine oxidation—a practical consideration often searched by laboratory managers.
Market intelligence indicates growing procurement of CAS 749799-45-9 by biotech startups developing novel enzyme inhibitors, reflecting the compound's adaptability in structure-activity relationship (SAR) studies. Its proton affinity (calculated 220 kcal/mol) further enables applications in mass spectrometry calibration, a niche but critical use case in analytical laboratories. These multifaceted applications position 4-(propan-2-yl)cyclohexylmethanamine as a compound of significant interdisciplinary interest in 2024's scientific landscape.
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