4-Propylaniline
TL;DR: 4-Propylaniline (CAS 2696-84-6) 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-propylaniline
Also Known As: 4-Propylaniline, 4-n-Propylaniline, p-Propylaniline, p-n-Propylaniline, Benzenamine, 4-propyl-
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13N |
| Molecular Weight | 135.1048 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.1048 Da |
| Heavy Atoms | 10 |
| Complexity | 82.0 |
| SMILES | CCCC1=CC=C(C=C1)N |
| InChIKey | OAPDPORYXWQVJE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Propylaniline
Property Insights of 4-Propylaniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Propylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Propylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propylaniline 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-Propylaniline?
The CAS number of 4-Propylaniline is 2696-84-6.
What is the molecular formula of 4-Propylaniline?
The molecular formula of 4-Propylaniline is C9H13N.
What is the molecular weight of 4-Propylaniline?
The molecular weight of 4-Propylaniline is 135.1048 g/mol.
Where can I buy 4-Propylaniline?
You can request a quote for 4-Propylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Propylaniline?
Yes, CoreyChem provides custom synthesis services for 4-Propylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.