4-Tert-Butylaniline
TL;DR: 4-Tert-Butylaniline (CAS 769-92-6) is a chemical compound with molecular formula C10H15N and molecular weight 149.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butylaniline
Also Known As: 4-tert-Butylaniline, 4-(tert-butyl)aniline, p-tert-Butylaniline, p-t-Butylaniline, 4-t-butylaniline
| Molecular Formula | C10H15N |
|---|---|
| Molecular Weight | 149.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.12045 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 769-92-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)N |
| InChIKey | WRDWWAVNELMWAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Tert-Butylaniline (CAS 769-92-6), with molecular formula C10H15N and molecular weight 149.12 g/mol. IUPAC: 4-tert-butylaniline.
Chemical Property Profile of 4-Tert-Butylaniline
Property Insights of 4-Tert-Butylaniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Tert-Butylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Tert-Butylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-Butylaniline 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 4-Tert-Butylaniline?
The CAS number of 4-Tert-Butylaniline is 769-92-6.
What is the molecular formula of 4-Tert-Butylaniline?
The molecular formula of 4-Tert-Butylaniline is C10H15N.
What is the molecular weight of 4-Tert-Butylaniline?
The molecular weight of 4-Tert-Butylaniline is 149.12 g/mol.
Where can I buy 4-Tert-Butylaniline?
You can request a quote for 4-Tert-Butylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-Butylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-Butylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.