![4-{[(4-Nitrophenyl)methyl]amino}benzoic acid structure](/static/products/6451/64518-81-6.webp)
4-{[(4-Nitrophenyl)methyl]amino}benzoic acid
TL;DR: 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid (CAS 64518-81-6) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-nitrophenyl)methylamino]benzoic acid
Also Known As: 4-[(4-nitrophenyl)methylamino]benzoic acid, 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid
Technical Specifications
| Molecular Formula | C14H12N2O4 |
| Molecular Weight | 272.0797 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0797 Da |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
| SMILES | C1=CC(=CC=C1CNC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | UCVRTKSDMCHQNW-UHFFFAOYSA-N |
Chemical Property Profile of 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid
Property Insights of 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid?
The CAS number of 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid is 64518-81-6.
What is the molecular formula of 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid?
The molecular formula of 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid is C14H12N2O4.
What is the molecular weight of 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid?
The molecular weight of 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid is 272.0797 g/mol.
Where can I buy 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid?
You can request a quote for 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-{[(4-Nitrophenyl)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.