2-Hexylaniline
TL;DR: 2-Hexylaniline (CAS 38409-55-1) 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.
2-hexylaniline
Also Known As: 2-Hexylaniline, 2-n-Hexylaniline, 2-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 | 122.0 |
Chemical Identifiers
| CAS Number | 38409-55-1 |
|---|---|
| SMILES | CCCCCCC1=CC=CC=C1N |
| InChIKey | INTQUWVWUSOJEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexylaniline (CAS 38409-55-1), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: 2-hexylaniline.
Chemical Property Profile of 2-Hexylaniline
Property Insights of 2-Hexylaniline
The XLogP value of 3.9 indicates that 2-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, 2-Hexylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Hexylaniline?
The CAS number of 2-Hexylaniline is 38409-55-1.
What is the molecular formula of 2-Hexylaniline?
The molecular formula of 2-Hexylaniline is C12H19N.
What is the molecular weight of 2-Hexylaniline?
The molecular weight of 2-Hexylaniline is 177.15 g/mol.
Where can I buy 2-Hexylaniline?
You can request a quote for 2-Hexylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.