4-(Tert-butyl)-3-nitroaniline
TL;DR: 4-(Tert-butyl)-3-nitroaniline (CAS 6310-20-9) 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.
4-tert-butyl-3-nitroaniline
Also Known As: 4-tert-butyl-3-nitroaniline, 4-(tert-butyl)-3-nitroaniline, 3-nitro-4-tert-butylaniline, 3-Ntro-4-tert-butylaniline, 4-tert-butyl-3-nitro-aniline
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 6310-20-9 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)N)[N+](=O)[O-] |
| InChIKey | KGBIPCNLIXXUQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Tert-butyl)-3-nitroaniline (CAS 6310-20-9), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: 4-tert-butyl-3-nitroaniline.
Chemical Property Profile of 4-(Tert-butyl)-3-nitroaniline
Property Insights of 4-(Tert-butyl)-3-nitroaniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Tert-butyl)-3-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Tert-butyl)-3-nitroaniline. Following Lipinski's Rule of Five, 4-(Tert-butyl)-3-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 4-(Tert-butyl)-3-nitroaniline?
The CAS number of 4-(Tert-butyl)-3-nitroaniline is 6310-20-9.
What is the molecular formula of 4-(Tert-butyl)-3-nitroaniline?
The molecular formula of 4-(Tert-butyl)-3-nitroaniline is C10H14N2O2.
What is the molecular weight of 4-(Tert-butyl)-3-nitroaniline?
The molecular weight of 4-(Tert-butyl)-3-nitroaniline is 194.11 g/mol.
Where can I buy 4-(Tert-butyl)-3-nitroaniline?
You can request a quote for 4-(Tert-butyl)-3-nitroaniline 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)-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Tert-butyl)-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.