Aniline, 4-tert-butyl-3-methyl-
TL;DR: Aniline, 4-tert-butyl-3-methyl- (CAS 129373-05-3) 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-3-methylaniline
Also Known As: 4-tert-butyl-3-methylaniline, Aniline, 4-tert-butyl-3-methyl-, 4-(1,1-Dimethylethyl)-3-methylbenzenamine
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 3.1 |
| 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 | 129373-05-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N)C(C)(C)C |
| InChIKey | VNVLJLMYRJMAOT-UHFFFAOYSA-N |
Product Overview
Aniline, 4-tert-butyl-3-methyl- (CAS 129373-05-3), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: 4-tert-butyl-3-methylaniline.
Chemical Property Profile of Aniline, 4-tert-butyl-3-methyl-
Property Insights of Aniline, 4-tert-butyl-3-methyl-
The XLogP value of 3.1 indicates that Aniline, 4-tert-butyl-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, Aniline, 4-tert-butyl-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, 4-tert-butyl-3-methyl- 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 Aniline, 4-tert-butyl-3-methyl-?
The CAS number of Aniline, 4-tert-butyl-3-methyl- is 129373-05-3.
What is the molecular formula of Aniline, 4-tert-butyl-3-methyl-?
The molecular formula of Aniline, 4-tert-butyl-3-methyl- is C11H17N.
What is the molecular weight of Aniline, 4-tert-butyl-3-methyl-?
The molecular weight of Aniline, 4-tert-butyl-3-methyl- is 163.14 g/mol.
Where can I buy Aniline, 4-tert-butyl-3-methyl-?
You can request a quote for Aniline, 4-tert-butyl-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, 4-tert-butyl-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, 4-tert-butyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.