4-Amino-N,N-dimethyl-3-nitroaniline
TL;DR: 4-Amino-N,N-dimethyl-3-nitroaniline (CAS 16293-12-2) is a chemical compound with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,4-N-dimethyl-2-nitrobenzene-1,4-diamine
Also Known As: N1,N1-Dimethyl-3-nitrobenzene-1,4-diamine, 4-Amino-N,N-dimethyl-3-nitroaniline, 4,4-diethoxybiphenyl, 4-Amino-3-nitro-N,N-dimethylaniline, 4-N,4-N-dimethyl-2-nitrobenzene-1,4-diamine
| Molecular Formula | C8H11N3O2 |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 1.243 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.08513 |
| Heavy Atoms | 13 |
| Complexity | 336.16107 |
Chemical Identifiers
| CAS Number | 16293-12-2 |
|---|---|
| SMILES | CN(C)C1=CC(=C(C=C1)N)[N+](=O)[O-] |
Product Overview
4-Amino-N,N-dimethyl-3-nitroaniline (CAS 16293-12-2), with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol. IUPAC: 4-N,4-N-dimethyl-2-nitrobenzene-1,4-diamine.
Chemical Property Profile of 4-Amino-N,N-dimethyl-3-nitroaniline
Property Insights of 4-Amino-N,N-dimethyl-3-nitroaniline
The XLogP value of 1.243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-N,N-dimethyl-3-nitroaniline. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-N,N-dimethyl-3-nitroaniline. Following Lipinski's Rule of Five, 4-Amino-N,N-dimethyl-3-nitroaniline has 1 hydrogen bond donor(s) and 4 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-Amino-N,N-dimethyl-3-nitroaniline?
The CAS number of 4-Amino-N,N-dimethyl-3-nitroaniline is 16293-12-2.
What is the molecular formula of 4-Amino-N,N-dimethyl-3-nitroaniline?
The molecular formula of 4-Amino-N,N-dimethyl-3-nitroaniline is C8H11N3O2.
What is the molecular weight of 4-Amino-N,N-dimethyl-3-nitroaniline?
The molecular weight of 4-Amino-N,N-dimethyl-3-nitroaniline is 181.09 g/mol.
Where can I buy 4-Amino-N,N-dimethyl-3-nitroaniline?
You can request a quote for 4-Amino-N,N-dimethyl-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-Amino-N,N-dimethyl-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-N,N-dimethyl-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.