Cas no 10436-75-6 (4-methyl-N-(propan-2-yl)aniline)
4-methyl-N-(propan-2-yl)aniline Chemical and Physical Properties
Names and Identifiers
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- N-ISOPROPYL-P-TOLUIDINE
- 4-methyl-N-(propan-2-yl)aniline
- iPrNH(4-MeC6H4)
- N-i-propyl-4-methylbenzenamine
- N-isopropyl-4-methylaniline
- N-isopropyl-4-methylbenzenamine
- N-Isopropyl-4-toluidine
- N-Isopropyl-p-toluidin
- 4-methyl-N-propan-2-ylaniline
- OMQZTBCIXIXKBF-UHFFFAOYSA-N
- SCHEMBL1454276
- DG-0068
- CS-0440429
- EN300-144927
- N-isopropyl-(p-toluidine)
- Isopropyl-p-tolyl-amine
- 10436-75-6
- AKOS000241637
- MFCD04038174
-
- MDL: MFCD04038174
- Inchi: 1S/C10H15N/c1-8(2)11-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3
- InChI Key: OMQZTBCIXIXKBF-UHFFFAOYSA-N
- SMILES: N(C1C=CC(C)=CC=1)C(C)C
Computed Properties
- Exact Mass: 149.12000
- Monoisotopic Mass: 149.120449483g/mol
- 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
- XLogP3: 2.9
- Topological Polar Surface Area: 12?2
Experimental Properties
- Color/Form: Not available
- Density: 0.9226
- Melting Point: 1.08°C (estimate)
- Boiling Point: 240.76°C (estimate)
- Refractive Index: 1.5332
- PSA: 12.03000
- LogP: 2.88830
- Solubility: Not available
4-methyl-N-(propan-2-yl)aniline Security Information
- Safety Instruction: S16-S24/25-S36-S37-S39
- Risk Phrases:R23/24/25; R36/37/38
4-methyl-N-(propan-2-yl)aniline Customs Data
- HS CODE:2921430090
- Customs Data:
China Customs Code:
2921430090Overview:
2921430090 Toluidine and its derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Evidence document and number of origin(example Certificate of origin attached, Originating in the European Union
Summary:
HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
4-methyl-N-(propan-2-yl)aniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | OR310072-500mg |
4-Methyl-N-(propan-2-yl)aniline |
10436-75-6 | 500mg |
£186.00 | 2024-05-25 | ||
| Apollo Scientific | OR310072-1g |
4-Methyl-N-(propan-2-yl)aniline |
10436-75-6 | 1g |
£250.00 | 2024-05-25 | ||
| Enamine | EN300-144927-0.05g |
4-methyl-N-(propan-2-yl)aniline |
10436-75-6 | 0.05g |
$216.0 | 2023-05-26 | ||
| Enamine | EN300-144927-0.1g |
4-methyl-N-(propan-2-yl)aniline |
10436-75-6 | 0.1g |
$226.0 | 2023-05-26 | ||
| Enamine | EN300-144927-0.25g |
4-methyl-N-(propan-2-yl)aniline |
10436-75-6 | 0.25g |
$235.0 | 2023-05-26 | ||
| Enamine | EN300-144927-0.5g |
4-methyl-N-(propan-2-yl)aniline |
10436-75-6 | 0.5g |
$246.0 | 2023-05-26 | ||
| Enamine | EN300-144927-1.0g |
4-methyl-N-(propan-2-yl)aniline |
10436-75-6 | 1g |
$256.0 | 2023-05-26 | ||
| Enamine | EN300-144927-2.5g |
4-methyl-N-(propan-2-yl)aniline |
10436-75-6 | 2.5g |
$503.0 | 2023-05-26 | ||
| Enamine | EN300-144927-5.0g |
4-methyl-N-(propan-2-yl)aniline |
10436-75-6 | 5g |
$743.0 | 2023-05-26 | ||
| Enamine | EN300-144927-10.0g |
4-methyl-N-(propan-2-yl)aniline |
10436-75-6 | 10g |
$1101.0 | 2023-05-26 |
4-methyl-N-(propan-2-yl)aniline Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
Additional information on 4-methyl-N-(propan-2-yl)aniline
Introduction to 4-methyl-N-(propan-2-yl)aniline and its CAS No. 10436-75-6
4-methyl-N-(propan-2-yl)aniline, identified by the Chemical Abstracts Service Number (CAS No.) 10436-75-6, is a significant organic compound that has garnered attention in the field of pharmaceutical and chemical research. This compound belongs to the class of aromatic amines, characterized by its structural similarity to aniline but with additional substituents that confer unique chemical properties. The presence of a methyl group at the fourth position and an isopropyl group at the nitrogen atom introduces specific reactivity and functionality, making it a valuable intermediate in synthetic chemistry.
The molecular structure of 4-methyl-N-(propan-2-yl)aniline consists of a benzene ring substituted with a methyl group at the fourth position and an N-(propan-2-yl) group attached to the nitrogen atom of an amine moiety. This configuration imparts both steric hindrance and electronic effects that influence its interactions with other molecules. The compound’s solubility, stability, and reactivity profile are critical factors that determine its applicability in various chemical processes.
In recent years, 4-methyl-N-(propan-2-yl)aniline has been extensively studied for its potential applications in pharmaceutical synthesis. Its aromatic backbone and amine functionality make it a versatile building block for more complex molecules. Researchers have explored its use in the development of novel therapeutic agents, where it serves as a precursor for drugs targeting neurological disorders, infectious diseases, and inflammatory conditions. The compound’s ability to undergo various chemical transformations, such as nucleophilic aromatic substitution and coupling reactions, enhances its utility in drug discovery.
One of the most compelling aspects of 4-methyl-N-(propan-2-yl)aniline is its role in the synthesis of bioactive molecules. For instance, studies have demonstrated its incorporation into heterocyclic structures that exhibit pharmacological activity. These derivatives have shown promise in preclinical trials as potential treatments for conditions like depression, epilepsy, and autoimmune diseases. The structural modifications introduced through functionalization of 4-methyl-N-(propan-2-yl)aniline allow researchers to fine-tune the pharmacokinetic and pharmacodynamic properties of the resulting compounds.
The chemical behavior of 4-methyl-N-(propan-2-yl)aniline is also influenced by environmental factors such as pH, temperature, and solvent polarity. These parameters play a crucial role in determining its reactivity and stability during synthetic processes. Advances in computational chemistry have enabled researchers to predict these properties with greater accuracy, facilitating the design of efficient synthetic routes. Molecular modeling techniques have been particularly useful in understanding how different substituents affect the electronic distribution within the molecule.
Industrial applications of 4-methyl-N-(propan-2-yl)aniline extend beyond pharmaceuticals into agrochemicals and specialty chemicals. Its derivatives have been employed as intermediates in the production of pesticides and herbicides, where their structural features contribute to enhanced efficacy against pests while maintaining environmental safety. Additionally, the compound’s compatibility with green chemistry principles has led to innovations in sustainable synthetic methods that minimize waste and reduce energy consumption.
The safety profile of 4-methyl-N-(propan-2-yl)aniline is another critical consideration in its handling and application. While it is not classified as a hazardous material under standard regulatory guidelines, proper precautions must be taken to prevent exposure during synthesis and handling. Personal protective equipment (PPE), such as gloves, goggles, and lab coats, is recommended when working with this compound to ensure worker safety. Furthermore, storage conditions should be controlled to prevent degradation or unwanted reactions.
Recent research has also highlighted the potential of 4-methyl-N-(propan-2-yl)aniline in material science applications. Its aromatic structure and functional groups make it suitable for use in organic electronics, where it can serve as a component in conductive polymers or liquid crystal displays (LCDs). The ability to tailor its properties through chemical modification opens up possibilities for developing novel materials with tailored electronic characteristics.
In conclusion,4-methyl-N-(propan-2-yl)aniline (CAS No. 10436-75-6) is a multifaceted compound with broad applications across pharmaceuticals, agrochemicals, and material science. Its unique structural features enable diverse chemical transformations, making it an indispensable tool for researchers seeking to develop innovative solutions to global challenges. As scientific understanding continues to evolve,4-methyl-N-(propan-2-yl)aniline will undoubtedly play an increasingly important role in advancing chemical research and industrial applications.
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