4-Isopropylaniline
TL;DR: 4-Isopropylaniline (CAS 99-88-7) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylaniline
Also Known As: 4-ISOPROPYLANILINE, Cumidine, 4-Aminocumene, p-Isopropylaniline, p-Cumidine
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 99-88-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)N |
| InChIKey | LRTFPLFDLJYEKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropylaniline (CAS 99-88-7), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: 4-propan-2-ylaniline.
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
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 135.10 g/mol.
Where can I buy 4-Isopropylaniline?
You can request a quote for 4-Isopropylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.