2-Nitro-4-propylaniline
TL;DR: 2-Nitro-4-propylaniline (CAS 103796-01-6) 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.
2-nitro-4-propylaniline
Also Known As: 2-nitro-4-propylaniline, 2-nitro-4-propylBenzenamine, 2-nitro-4-propyl-aniline, Benzenamine, 2-nitro-4-propyl-, J2.503.243H
Technical Specifications
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.08987 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.08987 Da |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
| SMILES | CCCC1=CC(=C(C=C1)N)[N+](=O)[O-] |
| InChIKey | UACSJWZBISFLIW-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitro-4-propylaniline
Property Insights of 2-Nitro-4-propylaniline
The XLogP value of 3.0 indicates that 2-Nitro-4-propylaniline 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-Nitro-4-propylaniline. Following Lipinski's Rule of Five, 2-Nitro-4-propylaniline 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-Nitro-4-propylaniline?
The CAS number of 2-Nitro-4-propylaniline is 103796-01-6.
What is the molecular formula of 2-Nitro-4-propylaniline?
The molecular formula of 2-Nitro-4-propylaniline is C9H12N2O2.
What is the molecular weight of 2-Nitro-4-propylaniline?
The molecular weight of 2-Nitro-4-propylaniline is 180.08987 g/mol.
Where can I buy 2-Nitro-4-propylaniline?
You can request a quote for 2-Nitro-4-propylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitro-4-propylaniline?
Yes, CoreyChem provides custom synthesis services for 2-Nitro-4-propylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.