N,N,4-trimethyl-3-nitroaniline
TL;DR: N,N,4-trimethyl-3-nitroaniline (CAS 103796-12-9) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N,4-trimethyl-3-nitroaniline
Also Known As: N,N,4-trimethyl-3-nitroaniline, N,N,4-trimethyl-3-nitro-aniline, Benzenamine, N,N,4-trimethyl-3-nitro-, AE-562/43460433
Technical Specifications
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.08987 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.08987 Da |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
| SMILES | CC1=C(C=C(C=C1)N(C)C)[N+](=O)[O-] |
| InChIKey | JDGKOUKEEAONGH-UHFFFAOYSA-N |
Chemical Property Profile of N,N,4-trimethyl-3-nitroaniline
Property Insights of N,N,4-trimethyl-3-nitroaniline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,4-trimethyl-3-nitroaniline. With a topological polar surface area (TPSA) of 49.1 Ų, N,N,4-trimethyl-3-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,4-trimethyl-3-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,4-trimethyl-3-nitroaniline?
The CAS number of N,N,4-trimethyl-3-nitroaniline is 103796-12-9.
What is the molecular formula of N,N,4-trimethyl-3-nitroaniline?
The molecular formula of N,N,4-trimethyl-3-nitroaniline is C9H12N2O2.
What is the molecular weight of N,N,4-trimethyl-3-nitroaniline?
The molecular weight of N,N,4-trimethyl-3-nitroaniline is 180.08987 g/mol.
Where can I buy N,N,4-trimethyl-3-nitroaniline?
You can request a quote for N,N,4-trimethyl-3-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N,4-trimethyl-3-nitroaniline?
Yes, CoreyChem provides custom synthesis services for N,N,4-trimethyl-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.