3-(3-Aminophenyl)propanoate
TL;DR: 3-(3-Aminophenyl)propanoate (CAS 68969-82-4) is a chemical compound with molecular formula C9H10NO2- and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-aminophenyl)propanoate
Also Known As: 3-(3-aminophenyl)propanoate, 3-aminobenzylacetate
| Molecular Formula | C9H10NO2- |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | -0.0487 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.07115 |
| Heavy Atoms | 12 |
| Complexity | 283.61197 |
Chemical Identifiers
| CAS Number | 68969-82-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)CCC(=O)[O-] |
Product Overview
3-(3-Aminophenyl)propanoate (CAS 68969-82-4), with molecular formula C9H10NO2- and molecular weight 164.07 g/mol. IUPAC: 3-(3-aminophenyl)propanoate.
Chemical Property Profile of 3-(3-Aminophenyl)propanoate
Property Insights of 3-(3-Aminophenyl)propanoate
The XLogP value of -0.0487 indicates that 3-(3-Aminophenyl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Aminophenyl)propanoate. Following Lipinski's Rule of Five, 3-(3-Aminophenyl)propanoate 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
Frequently Asked Questions
What is the CAS number of 3-(3-Aminophenyl)propanoate?
The CAS number of 3-(3-Aminophenyl)propanoate is 68969-82-4.
What is the molecular formula of 3-(3-Aminophenyl)propanoate?
The molecular formula of 3-(3-Aminophenyl)propanoate is C9H10NO2-.
What is the molecular weight of 3-(3-Aminophenyl)propanoate?
The molecular weight of 3-(3-Aminophenyl)propanoate is 164.07 g/mol.
Where can I buy 3-(3-Aminophenyl)propanoate?
You can request a quote for 3-(3-Aminophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Aminophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Aminophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.