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 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 1199-69-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CCN)C(=O)O |
| InChIKey | MRBFWTDIRYEDBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Aminoethyl)benzoic acid (CAS 1199-69-5), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 4-(2-aminoethyl)benzoic acid.
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
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 165.08 g/mol.
Where can I buy 4-(2-Aminoethyl)benzoic acid?
You can request a quote for 4-(2-Aminoethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Aminoethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Aminoethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.