N,N-Dihexylaniline
TL;DR: N,N-Dihexylaniline (CAS 4430-09-5) is a chemical compound with molecular formula C18H31N and molecular weight 261.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dihexylaniline
Also Known As: N,N-Dihexylaniline, N,N-Di-N-hexylaniline, dihexylphenyl amine, N,N-dihexylbenzenamine, Benzenamine,N,N-dihexyl-
| Molecular Formula | C18H31N |
|---|---|
| Molecular Weight | 261.25 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 261.24564 |
| Heavy Atoms | 19 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 4430-09-5 |
|---|---|
| SMILES | CCCCCCN(CCCCCC)C1=CC=CC=C1 |
| InChIKey | DGYRVXQIGUEFFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Dihexylaniline (CAS 4430-09-5), with molecular formula C18H31N and molecular weight 261.25 g/mol. IUPAC: N,N-dihexylaniline.
Chemical Property Profile of N,N-Dihexylaniline
Property Insights of N,N-Dihexylaniline
The XLogP value of 6.7 indicates that N,N-Dihexylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Dihexylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dihexylaniline has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-Dihexylaniline?
The CAS number of N,N-Dihexylaniline is 4430-09-5.
What is the molecular formula of N,N-Dihexylaniline?
The molecular formula of N,N-Dihexylaniline is C18H31N.
What is the molecular weight of N,N-Dihexylaniline?
The molecular weight of N,N-Dihexylaniline is 261.25 g/mol.
Where can I buy N,N-Dihexylaniline?
You can request a quote for N,N-Dihexylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dihexylaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dihexylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.