4-Dodecylaniline
TL;DR: 4-Dodecylaniline (CAS 104-42-7) 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.
4-dodecylaniline
Also Known As: 4-Dodecylaniline, P-DODECYLANILINE, Benzenamine, 4-dodecyl-, P-dodecyl aniline, 4-Dodecylphenylamine
| Molecular Formula | C18H31N |
|---|---|
| Molecular Weight | 261.25 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 261.24564 |
| Heavy Atoms | 19 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 104-42-7 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)N |
| InChIKey | KLPPPIIIEMUEGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Dodecylaniline (CAS 104-42-7), with molecular formula C18H31N and molecular weight 261.25 g/mol. IUPAC: 4-dodecylaniline.
Chemical Property Profile of 4-Dodecylaniline
Property Insights of 4-Dodecylaniline
The XLogP value of 7.2 indicates that 4-Dodecylaniline 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-Dodecylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Dodecylaniline has 1 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 4-Dodecylaniline?
The CAS number of 4-Dodecylaniline is 104-42-7.
What is the molecular formula of 4-Dodecylaniline?
The molecular formula of 4-Dodecylaniline is C18H31N.
What is the molecular weight of 4-Dodecylaniline?
The molecular weight of 4-Dodecylaniline is 261.25 g/mol.
Where can I buy 4-Dodecylaniline?
You can request a quote for 4-Dodecylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dodecylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Dodecylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.