3-Tert-butyl-4-nitroaniline
TL;DR: 3-Tert-butyl-4-nitroaniline (CAS 70634-36-5) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-4-nitroaniline
Also Known As: 3-tert-butyl-4-nitroaniline, 3-(tert-butyl)-4-nitroaniline, 3-(tert-butyl)-4-nitrophenylamine, AE-562/12222794
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 2.4745 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 366.875 |
Chemical Identifiers
| CAS Number | 70634-36-5 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=CC(=C1)N)[N+](=O)[O-] |
Product Overview
3-Tert-butyl-4-nitroaniline (CAS 70634-36-5), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: 3-tert-butyl-4-nitroaniline.
Chemical Property Profile of 3-Tert-butyl-4-nitroaniline
Property Insights of 3-Tert-butyl-4-nitroaniline
The XLogP value of 2.4745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butyl-4-nitroaniline. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Tert-butyl-4-nitroaniline. Following Lipinski's Rule of Five, 3-Tert-butyl-4-nitroaniline has 1 hydrogen bond donor(s) and 3 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 3-Tert-butyl-4-nitroaniline?
The CAS number of 3-Tert-butyl-4-nitroaniline is 70634-36-5.
What is the molecular formula of 3-Tert-butyl-4-nitroaniline?
The molecular formula of 3-Tert-butyl-4-nitroaniline is C10H14N2O2.
What is the molecular weight of 3-Tert-butyl-4-nitroaniline?
The molecular weight of 3-Tert-butyl-4-nitroaniline is 194.11 g/mol.
Where can I buy 3-Tert-butyl-4-nitroaniline?
You can request a quote for 3-Tert-butyl-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.