4-(2-Aminoethyl)benzoic acid
TL;DR: 4-(2-Aminoethyl)benzoic acid (CAS 1199-69-5) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-aminoethyl)benzoic acid
Also Known As: 4-(2-aminoethyl)benzoic acid, 4-(2-Amino-ethyl)-benzoic acid, 4-aminoethylbenzoic acid, Benzoic acid, 4-(2-aminoethyl)-, 4-(2-aminoethyl)-benzoic acid
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.07898 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | C1=CC(=CC=C1CCN)C(=O)O |
| InChIKey | MRBFWTDIRYEDBQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Aminoethyl)benzoic acid
Property Insights of 4-(2-Aminoethyl)benzoic acid
The XLogP value of -0.9 indicates that 4-(2-Aminoethyl)benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Aminoethyl)benzoic acid. Following Lipinski's Rule of Five, 4-(2-Aminoethyl)benzoic acid has 2 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 4-(2-Aminoethyl)benzoic acid?
The CAS number of 4-(2-Aminoethyl)benzoic acid is 1199-69-5.
What is the molecular formula of 4-(2-Aminoethyl)benzoic acid?
The molecular formula of 4-(2-Aminoethyl)benzoic acid is C9H11NO2.
What is the molecular weight of 4-(2-Aminoethyl)benzoic acid?
The molecular weight of 4-(2-Aminoethyl)benzoic acid is 165.07898 g/mol.
Where can I buy 4-(2-Aminoethyl)benzoic acid?
You can request a quote for 4-(2-Aminoethyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Aminoethyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(2-Aminoethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.