4-tert-Butyl-o-toluidine
TL;DR: 4-tert-Butyl-o-toluidine (CAS 2909-82-2) is a chemical compound with molecular formula C11H17N and molecular weight 163.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-methylaniline
Also Known As: 4-tert-butyl-2-methylaniline, 4-tert-Butyl-o-toluidine, 4-(tert-butyl)-2-methylaniline, 2-methyl-4-tert-butylaniline, 4-tert-butyl-2-methyl-aniline
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.1361 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 2909-82-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)(C)C)N |
| InChIKey | ZPWRNXCIWFCXOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butyl-o-toluidine (CAS 2909-82-2), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: 4-tert-butyl-2-methylaniline.
Chemical Property Profile of 4-tert-Butyl-o-toluidine
Property Insights of 4-tert-Butyl-o-toluidine
The XLogP value of 3.0 indicates that 4-tert-Butyl-o-toluidine 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-tert-Butyl-o-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-o-toluidine 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-Butyl-o-toluidine?
The CAS number of 4-tert-Butyl-o-toluidine is 2909-82-2.
What is the molecular formula of 4-tert-Butyl-o-toluidine?
The molecular formula of 4-tert-Butyl-o-toluidine is C11H17N.
What is the molecular weight of 4-tert-Butyl-o-toluidine?
The molecular weight of 4-tert-Butyl-o-toluidine is 163.14 g/mol.
Where can I buy 4-tert-Butyl-o-toluidine?
You can request a quote for 4-tert-Butyl-o-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-o-toluidine?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-o-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.