6-Tert-butyl-3-chloro-2-methylaniline
TL;DR: 6-Tert-butyl-3-chloro-2-methylaniline (CAS 904444-33-3) is a chemical compound with molecular formula C11H16ClN and molecular weight 197.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-3-chloro-2-methylaniline
Also Known As: 6-tert-butyl-3-chloro-2-methylaniline, 6-tert-butyl-3-chloro-2-methylphenylamine, 6-(tert-Butyl)-3-chloro-2-methylaniline, 6-(tert-butyl)-3-chloro-2-methylphenylamine, AE-562/43287114
| Molecular Formula | C11H16ClN |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 3.52812 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.09712 |
| Heavy Atoms | 13 |
| Complexity | 323.59753 |
Chemical Identifiers
| CAS Number | 904444-33-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1N)C(C)(C)C)Cl |
Product Overview
6-Tert-butyl-3-chloro-2-methylaniline (CAS 904444-33-3), with molecular formula C11H16ClN and molecular weight 197.10 g/mol. IUPAC: 6-tert-butyl-3-chloro-2-methylaniline.
Chemical Property Profile of 6-Tert-butyl-3-chloro-2-methylaniline
Property Insights of 6-Tert-butyl-3-chloro-2-methylaniline
The XLogP value of 3.52812 indicates that 6-Tert-butyl-3-chloro-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 6-Tert-butyl-3-chloro-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Tert-butyl-3-chloro-2-methylaniline 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 6-Tert-butyl-3-chloro-2-methylaniline?
The CAS number of 6-Tert-butyl-3-chloro-2-methylaniline is 904444-33-3.
What is the molecular formula of 6-Tert-butyl-3-chloro-2-methylaniline?
The molecular formula of 6-Tert-butyl-3-chloro-2-methylaniline is C11H16ClN.
What is the molecular weight of 6-Tert-butyl-3-chloro-2-methylaniline?
The molecular weight of 6-Tert-butyl-3-chloro-2-methylaniline is 197.10 g/mol.
Where can I buy 6-Tert-butyl-3-chloro-2-methylaniline?
You can request a quote for 6-Tert-butyl-3-chloro-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Tert-butyl-3-chloro-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 6-Tert-butyl-3-chloro-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.