2-Tert-butyl-4,6-dimethylaniline
TL;DR: 2-Tert-butyl-4,6-dimethylaniline (CAS 35735-32-1) is a chemical compound with molecular formula C12H19N and molecular weight 177.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4,6-dimethylaniline
Also Known As: 2-tert-butyl-4,6-dimethyl-aniline, 2-tert-butyl-4,6-dimethylaniline, 2-(tert-Butyl)-4,6-dimethylaniline, Aniline, 2,4-dimethyl-6-tert-butyl-, 2-(tert-butyl)-4,6-dimethylphenylamine
| Molecular Formula | C12H19N |
|---|---|
| Molecular Weight | 177.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.15175 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 35735-32-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)N)C |
| InChIKey | SJMVAOMOFSHXEH-UHFFFAOYSA-N |
Product Overview
2-Tert-butyl-4,6-dimethylaniline (CAS 35735-32-1), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: 2-tert-butyl-4,6-dimethylaniline.
Chemical Property Profile of 2-Tert-butyl-4,6-dimethylaniline
Property Insights of 2-Tert-butyl-4,6-dimethylaniline
The XLogP value of 3.6 indicates that 2-Tert-butyl-4,6-dimethylaniline 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-Tert-butyl-4,6-dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-4,6-dimethylaniline 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-Tert-butyl-4,6-dimethylaniline?
The CAS number of 2-Tert-butyl-4,6-dimethylaniline is 35735-32-1.
What is the molecular formula of 2-Tert-butyl-4,6-dimethylaniline?
The molecular formula of 2-Tert-butyl-4,6-dimethylaniline is C12H19N.
What is the molecular weight of 2-Tert-butyl-4,6-dimethylaniline?
The molecular weight of 2-Tert-butyl-4,6-dimethylaniline is 177.15 g/mol.
Where can I buy 2-Tert-butyl-4,6-dimethylaniline?
You can request a quote for 2-Tert-butyl-4,6-dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tert-butyl-4,6-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-4,6-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.