4-Isopropylaniline
TL;DR: 4-Isopropylaniline (CAS 99-88-7) is a chemical compound with molecular formula C9H13N and molecular weight 135.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-propan-2-ylaniline
Also Known As: 4-ISOPROPYLANILINE, Cumidine, 4-Aminocumene, p-Isopropylaniline, p-Cumidine
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13N |
| Molecular Weight | 135.1048 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.1048 Da |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
| SMILES | CC(C)C1=CC=C(C=C1)N |
| InChIKey | LRTFPLFDLJYEKT-UHFFFAOYSA-N |
Product Description
Applications: 4-Isopropylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 4-Isopropylaniline (CAS 99-88-7) has the molecular formula C9H13N and a molecular weight of 135.1 g/mol. Synonyms include 4-ISOPROPYLANILINE and Cumidine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Isopropylaniline
Property Insights of 4-Isopropylaniline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Isopropylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylaniline has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Isopropylaniline?
The CAS number of 4-Isopropylaniline is 99-88-7.
What is the molecular formula of 4-Isopropylaniline?
The molecular formula of 4-Isopropylaniline is C9H13N.
What is the molecular weight of 4-Isopropylaniline?
The molecular weight of 4-Isopropylaniline is 135.1048 g/mol.
What are the applications of 4-Isopropylaniline?
4-Isopropylaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Isopropylaniline?
You can request a quote for 4-Isopropylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Isopropylaniline?
Yes, CoreyChem provides custom synthesis services for 4-Isopropylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.