N,N-Dimethyl-4-nitroaniline
TL;DR: N,N-Dimethyl-4-nitroaniline (CAS 100-23-2) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-4-nitroaniline
Also Known As: N,N-Dimethyl-4-nitroaniline, 4-Nitro-N,N-dimethylaniline, Benzenamine, N,N-dimethyl-4-nitro-, 4-Nitrodimethylaniline, p-Nitrodimethylaniline
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.07423 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.07423 Da |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
| SMILES | CN(C)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | QJAIOCKFIORVFU-UHFFFAOYSA-N |
Product Description
Applications: N,N-Dimethyl-4-nitroaniline is used in polymer chemistry and functional materials synthesis, as well as organometallic chemistry, cross-coupling reactions, and metal-mediated transformations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
N,N-Dimethyl-4-nitroaniline is a polymer intermediate identified by CAS number 100-23-2 and the molecular formula C8H10N2O2 and a molecular weight of 166.07 g/mol. Synonyms include N,N-Dimethyl-4-nitroaniline and 4-Nitro-N,N-dimethylaniline.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of N,N-Dimethyl-4-nitroaniline
Property Insights of N,N-Dimethyl-4-nitroaniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyl-4-nitroaniline. With a topological polar surface area (TPSA) of 49.1 Ų, N,N-Dimethyl-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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
What is the CAS number of N,N-Dimethyl-4-nitroaniline?
The CAS number of N,N-Dimethyl-4-nitroaniline is 100-23-2.
What is the molecular formula of N,N-Dimethyl-4-nitroaniline?
The molecular formula of N,N-Dimethyl-4-nitroaniline is C8H10N2O2.
What is the molecular weight of N,N-Dimethyl-4-nitroaniline?
The molecular weight of N,N-Dimethyl-4-nitroaniline is 166.07423 g/mol.
What are the applications of N,N-Dimethyl-4-nitroaniline?
N,N-Dimethyl-4-nitroaniline is used in polymer chemistry and functional materials synthesis, as well as organometallic chemistry, cross-coupling reactions, and metal-mediated transformations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy N,N-Dimethyl-4-nitroaniline?
You can request a quote for N,N-Dimethyl-4-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Dimethyl-4-nitroaniline?
Yes, CoreyChem provides custom synthesis services for N,N-Dimethyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.