3-chloro-N,N-dimethyl-4-nitroaniline
TL;DR: 3-chloro-N,N-dimethyl-4-nitroaniline (CAS 17815-98-4) is a chemical compound with molecular formula C8H9ClN2O2 and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N-dimethyl-4-nitroaniline
Also Known As: 3-chloro-N,N-dimethyl-4-nitroaniline, (3-chloro-4-nitrophenyl)dimethylamine, 3-Chloro-N,N-dimethyl-4-nitrobenzenamine, 3-chloro-N,N-dimethyl-4-nitro-aniline, Benzenamine, 3-chloro-N,N-dimethyl-4-nitro-
| Molecular Formula | C8H9ClN2O2 |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | 2.3142 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.03525 |
| Heavy Atoms | 13 |
| Complexity | 338.91595 |
Chemical Identifiers
| CAS Number | 17815-98-4 |
|---|---|
| SMILES | CN(C)C1=CC(=C(C=C1)[N+](=O)[O-])Cl |
Product Overview
3-chloro-N,N-dimethyl-4-nitroaniline (CAS 17815-98-4), with molecular formula C8H9ClN2O2 and molecular weight 200.04 g/mol. IUPAC: 3-chloro-N,N-dimethyl-4-nitroaniline.
Chemical Property Profile of 3-chloro-N,N-dimethyl-4-nitroaniline
Property Insights of 3-chloro-N,N-dimethyl-4-nitroaniline
The XLogP value of 2.3142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N,N-dimethyl-4-nitroaniline. With a topological polar surface area (TPSA) of 46.38 Ų, 3-chloro-N,N-dimethyl-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N,N-dimethyl-4-nitroaniline has 0 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-chloro-N,N-dimethyl-4-nitroaniline?
The CAS number of 3-chloro-N,N-dimethyl-4-nitroaniline is 17815-98-4.
What is the molecular formula of 3-chloro-N,N-dimethyl-4-nitroaniline?
The molecular formula of 3-chloro-N,N-dimethyl-4-nitroaniline is C8H9ClN2O2.
What is the molecular weight of 3-chloro-N,N-dimethyl-4-nitroaniline?
The molecular weight of 3-chloro-N,N-dimethyl-4-nitroaniline is 200.04 g/mol.
Where can I buy 3-chloro-N,N-dimethyl-4-nitroaniline?
You can request a quote for 3-chloro-N,N-dimethyl-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-chloro-N,N-dimethyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N,N-dimethyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.