2,4,6-Tri-tert-butylaniline
TL;DR: 2,4,6-Tri-tert-butylaniline (CAS 961-38-6) is a chemical compound with molecular formula C18H31N and molecular weight 261.24564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-tritert-butylaniline
Also Known As: 2,4,6-Tri-tert-butylaniline, 2,4,6-tritert-butylaniline, 2,4,6-tri-t-Butylaniline, Aniline, tri-tert-butyl-, akos bc-0696
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H31N |
| Molecular Weight | 261.24564 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.24564 Da |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)N)C(C)(C)C |
| InChIKey | REJGDSCBQPJPQT-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,6-Tri-tert-butylaniline
Property Insights of 2,4,6-Tri-tert-butylaniline
The XLogP value of 6.3 indicates that 2,4,6-Tri-tert-butylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 2,4,6-Tri-tert-butylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tri-tert-butylaniline has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,4,6-Tri-tert-butylaniline?
The CAS number of 2,4,6-Tri-tert-butylaniline is 961-38-6.
What is the molecular formula of 2,4,6-Tri-tert-butylaniline?
The molecular formula of 2,4,6-Tri-tert-butylaniline is C18H31N.
What is the molecular weight of 2,4,6-Tri-tert-butylaniline?
The molecular weight of 2,4,6-Tri-tert-butylaniline is 261.24564 g/mol.
Where can I buy 2,4,6-Tri-tert-butylaniline?
You can request a quote for 2,4,6-Tri-tert-butylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Tri-tert-butylaniline?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Tri-tert-butylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.