beta-Amino-4-ethylbenzenepropanoic acid
TL;DR: beta-Amino-4-ethylbenzenepropanoic acid (CAS 1196690-95-5) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-3-(4-ethylphenyl)propanoic acid
Also Known As: 3-amino-3-(4-ethylphenyl)propanoic acid, Bionet2_001201, aminoethylphenylpropanoicacid, 3-Amino-3-(4-ethylphenyl)propanoicacid, 3-Amino-3-(4-ethyl-phenyl)-propionic acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.11028 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.11028 Da |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
| SMILES | CCC1=CC=C(C=C1)C(CC(=O)O)N |
| InChIKey | CZOSHSPOVINZEF-UHFFFAOYSA-N |
Chemical Property Profile of beta-Amino-4-ethylbenzenepropanoic acid
Property Insights of beta-Amino-4-ethylbenzenepropanoic acid
The XLogP value of -0.6 indicates that beta-Amino-4-ethylbenzenepropanoic 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 beta-Amino-4-ethylbenzenepropanoic acid. Following Lipinski's Rule of Five, beta-Amino-4-ethylbenzenepropanoic 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 beta-Amino-4-ethylbenzenepropanoic acid?
The CAS number of beta-Amino-4-ethylbenzenepropanoic acid is 1196690-95-5.
What is the molecular formula of beta-Amino-4-ethylbenzenepropanoic acid?
The molecular formula of beta-Amino-4-ethylbenzenepropanoic acid is C11H15NO2.
What is the molecular weight of beta-Amino-4-ethylbenzenepropanoic acid?
The molecular weight of beta-Amino-4-ethylbenzenepropanoic acid is 193.11028 g/mol.
Where can I buy beta-Amino-4-ethylbenzenepropanoic acid?
You can request a quote for beta-Amino-4-ethylbenzenepropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Amino-4-ethylbenzenepropanoic acid?
Yes, CoreyChem provides custom synthesis services for beta-Amino-4-ethylbenzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.