n,4-Dimethyl-2-nitroaniline
TL;DR: n,4-Dimethyl-2-nitroaniline (CAS 7290-03-1) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,4-dimethyl-2-nitroaniline
Also Known As: n,4-dimethyl-2-nitroaniline, Benzenamine, N,4-dimethyl-2-nitro-, N,4-dimethyl-2-nitro-aniline, methyl-(4-methyl-2-nitro-phenyl)-amine, 4-(methylamino)-3-nitrotoluene
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 7290-03-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC)[N+](=O)[O-] |
| InChIKey | PQRIBMJCGDIAFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n,4-Dimethyl-2-nitroaniline (CAS 7290-03-1), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: N,4-dimethyl-2-nitroaniline.
Chemical Property Profile of n,4-Dimethyl-2-nitroaniline
Property Insights of n,4-Dimethyl-2-nitroaniline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n,4-Dimethyl-2-nitroaniline. With a topological polar surface area (TPSA) of 57.9 Ų, n,4-Dimethyl-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n,4-Dimethyl-2-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 n,4-Dimethyl-2-nitroaniline?
The CAS number of n,4-Dimethyl-2-nitroaniline is 7290-03-1.
What is the molecular formula of n,4-Dimethyl-2-nitroaniline?
The molecular formula of n,4-Dimethyl-2-nitroaniline is C8H10N2O2.
What is the molecular weight of n,4-Dimethyl-2-nitroaniline?
The molecular weight of n,4-Dimethyl-2-nitroaniline is 166.07 g/mol.
Where can I buy n,4-Dimethyl-2-nitroaniline?
You can request a quote for n,4-Dimethyl-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n,4-Dimethyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for n,4-Dimethyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.