2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1)
TL;DR: 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1) (CAS 54057-95-3) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminophenyl)prop-2-enoic acid;hydrochloride
Also Known As: 4-Aminocinnamic acid hydrochloride, 1-Aminocinnamic acid hydrochloride, 4-AMINOCINNAMIC ACID HCl, Para-aminocinnamic acid hydrochloride, p-AMINOCINNAMIC ACID HYDROCHLORIDE
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 1.79 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 54057-95-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)O)N.Cl |
| InChIKey | SFRAURMUQMJLPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1) (CAS 54057-95-3), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: 3-(4-aminophenyl)prop-2-enoic acid;hydrochloride.
Chemical Property Profile of 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1)
Property Insights of 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1)
The XLogP value of 1.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1). The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1). Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1) has 3 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 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1)?
The CAS number of 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1) is 54057-95-3.
What is the molecular formula of 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1)?
The molecular formula of 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1) is C9H10ClNO2.
What is the molecular weight of 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1)?
The molecular weight of 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1) is 199.04 g/mol.
Where can I buy 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1)?
You can request a quote for 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(4-aminophenyl)-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.