1,2-Diethyl-3-nitrobenzene
TL;DR: 1,2-Diethyl-3-nitrobenzene (CAS 103095-95-0) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-diethyl-3-nitrobenzene
Also Known As: 1,2-diethyl-3-nitrobenzene, 2,3-Diethyl-1-nitrobenzene, Benzene, 1,2-diethyl-3-nitro-, Benzene,1,2-diethyl-3-nitro
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.09464 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 Da |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
| SMILES | CCC1=C(C(=CC=C1)[N+](=O)[O-])CC |
| InChIKey | JWVFDOSCMSIWBR-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Diethyl-3-nitrobenzene
Property Insights of 1,2-Diethyl-3-nitrobenzene
The XLogP value of 3.3 indicates that 1,2-Diethyl-3-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1,2-Diethyl-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Diethyl-3-nitrobenzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Diethyl-3-nitrobenzene?
The CAS number of 1,2-Diethyl-3-nitrobenzene is 103095-95-0.
What is the molecular formula of 1,2-Diethyl-3-nitrobenzene?
The molecular formula of 1,2-Diethyl-3-nitrobenzene is C10H13NO2.
What is the molecular weight of 1,2-Diethyl-3-nitrobenzene?
The molecular weight of 1,2-Diethyl-3-nitrobenzene is 179.09464 g/mol.
Where can I buy 1,2-Diethyl-3-nitrobenzene?
You can request a quote for 1,2-Diethyl-3-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Diethyl-3-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1,2-Diethyl-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.