![2-[(4-Nitrophenyl)ethynyl]aniline structure](/static/products/1578/157869-12-0.webp)
2-[(4-Nitrophenyl)ethynyl]aniline
TL;DR: 2-[(4-Nitrophenyl)ethynyl]aniline (CAS 157869-12-0) is a chemical compound with molecular formula C14H10N2O2 and molecular weight 238.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-nitrophenyl)ethynyl]aniline
Also Known As: 2-[(4-nitrophenyl)ethynyl]aniline, 2-[2-(4-nitrophenyl)ethynyl]aniline, 2-(4-Nitrophenylethynyl)aniline, Benzenamine, 2-[(4-nitrophenyl)ethynyl]-, o-(4-nitrophenyl-ethynyl)aniline
Technical Specifications
| Molecular Formula | C14H10N2O2 |
| Molecular Weight | 238.07423 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.07423 Da |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
| SMILES | C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-])N |
| InChIKey | JCJSOROVNUFQFY-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(4-Nitrophenyl)ethynyl]aniline
Property Insights of 2-[(4-Nitrophenyl)ethynyl]aniline
The XLogP value of 3.1 indicates that 2-[(4-Nitrophenyl)ethynyl]aniline 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-[(4-Nitrophenyl)ethynyl]aniline. Following Lipinski's Rule of Five, 2-[(4-Nitrophenyl)ethynyl]aniline 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-[(4-Nitrophenyl)ethynyl]aniline?
The CAS number of 2-[(4-Nitrophenyl)ethynyl]aniline is 157869-12-0.
What is the molecular formula of 2-[(4-Nitrophenyl)ethynyl]aniline?
The molecular formula of 2-[(4-Nitrophenyl)ethynyl]aniline is C14H10N2O2.
What is the molecular weight of 2-[(4-Nitrophenyl)ethynyl]aniline?
The molecular weight of 2-[(4-Nitrophenyl)ethynyl]aniline is 238.07423 g/mol.
Where can I buy 2-[(4-Nitrophenyl)ethynyl]aniline?
You can request a quote for 2-[(4-Nitrophenyl)ethynyl]aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(4-Nitrophenyl)ethynyl]aniline?
Yes, CoreyChem provides custom synthesis services for 2-[(4-Nitrophenyl)ethynyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.