2,6-Di-sec-butyl-aniline
TL;DR: 2,6-Di-sec-butyl-aniline (CAS 21155-53-3) is a chemical compound with molecular formula C14H23N and molecular weight 205.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-di(butan-2-yl)aniline
Also Known As: 2,6-Di-sec-butyl-aniline, 2,6-di(butan-2-yl)aniline, 2,6-Di-sec-butylaniline, 2,6-dibutan-2-ylaniline, 2,6-bis(butan-2-yl)aniline
| Molecular Formula | C14H23N |
|---|---|
| Molecular Weight | 205.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.18304 |
| Heavy Atoms | 15 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 21155-53-3 |
|---|---|
| SMILES | CCC(C)C1=C(C(=CC=C1)C(C)CC)N |
| InChIKey | GCTRPALYLKYZIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Di-sec-butyl-aniline (CAS 21155-53-3), with molecular formula C14H23N and molecular weight 205.18 g/mol. IUPAC: 2,6-di(butan-2-yl)aniline.
Chemical Property Profile of 2,6-Di-sec-butyl-aniline
Property Insights of 2,6-Di-sec-butyl-aniline
The XLogP value of 4.0 indicates that 2,6-Di-sec-butyl-aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 2,6-Di-sec-butyl-aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Di-sec-butyl-aniline 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 2,6-Di-sec-butyl-aniline?
The CAS number of 2,6-Di-sec-butyl-aniline is 21155-53-3.
What is the molecular formula of 2,6-Di-sec-butyl-aniline?
The molecular formula of 2,6-Di-sec-butyl-aniline is C14H23N.
What is the molecular weight of 2,6-Di-sec-butyl-aniline?
The molecular weight of 2,6-Di-sec-butyl-aniline is 205.18 g/mol.
Where can I buy 2,6-Di-sec-butyl-aniline?
You can request a quote for 2,6-Di-sec-butyl-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Di-sec-butyl-aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di-sec-butyl-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.