2-Butyl-5-nitroaniline
TL;DR: 2-Butyl-5-nitroaniline (CAS 119119-90-3) 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.
2-butyl-5-nitroaniline
Also Known As: 2-butyl-5-nitroaniline, 2-butyl-5-nitro-aniline
Technical Specifications
| Molecular Formula | C10H14N2O2 |
| Molecular Weight | 194.10553 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.10553 Da |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
| SMILES | CCCCC1=C(C=C(C=C1)[N+](=O)[O-])N |
| InChIKey | PGTOHAQTVITUPI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butyl-5-nitroaniline
Property Insights of 2-Butyl-5-nitroaniline
The XLogP value of 3.4 indicates that 2-Butyl-5-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyl-5-nitroaniline. Following Lipinski's Rule of Five, 2-Butyl-5-nitroaniline has 1 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 2-Butyl-5-nitroaniline?
The CAS number of 2-Butyl-5-nitroaniline is 119119-90-3.
What is the molecular formula of 2-Butyl-5-nitroaniline?
The molecular formula of 2-Butyl-5-nitroaniline is C10H14N2O2.
What is the molecular weight of 2-Butyl-5-nitroaniline?
The molecular weight of 2-Butyl-5-nitroaniline is 194.10553 g/mol.
Where can I buy 2-Butyl-5-nitroaniline?
You can request a quote for 2-Butyl-5-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butyl-5-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 2-Butyl-5-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.