N,N-Diethyl-2-nitroaniline
TL;DR: N,N-Diethyl-2-nitroaniline (CAS 10505-24-5) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-2-nitroaniline
Also Known As: N,N-Diethyl-2-nitroaniline, N,N-Diethyl-O-nitroaniline, nitrodiethylaniline, N,n-diethyl-2-nitro-aniline, N,N-Diethyl-O-nitro aniline
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14N2O2 |
| Molecular Weight | 194.10553 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.10553 Da |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
| SMILES | CCN(CC)C1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | BUBRUAQVAPTGHV-UHFFFAOYSA-N |
Chemical Property Profile of N,N-Diethyl-2-nitroaniline
Property Insights of N,N-Diethyl-2-nitroaniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-2-nitroaniline. With a topological polar surface area (TPSA) of 49.1 Ų, N,N-Diethyl-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-2-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-Diethyl-2-nitroaniline?
The CAS number of N,N-Diethyl-2-nitroaniline is 10505-24-5.
What is the molecular formula of N,N-Diethyl-2-nitroaniline?
The molecular formula of N,N-Diethyl-2-nitroaniline is C10H14N2O2.
What is the molecular weight of N,N-Diethyl-2-nitroaniline?
The molecular weight of N,N-Diethyl-2-nitroaniline is 194.10553 g/mol.
Where can I buy N,N-Diethyl-2-nitroaniline?
You can request a quote for N,N-Diethyl-2-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Diethyl-2-nitroaniline?
Yes, CoreyChem provides custom synthesis services for N,N-Diethyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.