4-Hexylaniline
TL;DR: 4-Hexylaniline (CAS 33228-45-4) is a chemical compound with molecular formula C12H19N and molecular weight 177.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexylaniline
Also Known As: 4-Hexylaniline, p-Hexylaniline, 4-N-Hexylaniline, Benzenamine, 4-hexyl-, p-n-Hexylaniline
| Molecular Formula | C12H19N |
|---|---|
| Molecular Weight | 177.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.15175 |
| Heavy Atoms | 13 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 33228-45-4 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)N |
| InChIKey | OVEMTTZEBOCJDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hexylaniline (CAS 33228-45-4), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: 4-hexylaniline.
Chemical Property Profile of 4-Hexylaniline
Property Insights of 4-Hexylaniline
The XLogP value of 3.9 indicates that 4-Hexylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Hexylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexylaniline 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-Hexylaniline?
The CAS number of 4-Hexylaniline is 33228-45-4.
What is the molecular formula of 4-Hexylaniline?
The molecular formula of 4-Hexylaniline is C12H19N.
What is the molecular weight of 4-Hexylaniline?
The molecular weight of 4-Hexylaniline is 177.15 g/mol.
Where can I buy 4-Hexylaniline?
You can request a quote for 4-Hexylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.