3-(Hydroxyamino)-3-phenylpropanoic acid
TL;DR: 3-(Hydroxyamino)-3-phenylpropanoic acid (CAS 104575-39-5) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(hydroxyamino)-3-phenylpropanoic acid
Also Known As: 3-(hydroxyamino)-3-phenylpropanoic acid, N-hydroxy-3-phenyl-beta-alanine, Benzenepropanoic acid, b-(hydroxyamino)-, 3-(N-hydroxyamino)-3-phenylpropanoic acid, beta-hydroxyamino-beta-phenyl propionic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.0739 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.0739 Da |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)NO |
| InChIKey | MUURQVSFSDVWKM-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Hydroxyamino)-3-phenylpropanoic acid
Property Insights of 3-(Hydroxyamino)-3-phenylpropanoic acid
The XLogP value of -1.4 indicates that 3-(Hydroxyamino)-3-phenylpropanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Hydroxyamino)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 3-(Hydroxyamino)-3-phenylpropanoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Hydroxyamino)-3-phenylpropanoic acid?
The CAS number of 3-(Hydroxyamino)-3-phenylpropanoic acid is 104575-39-5.
What is the molecular formula of 3-(Hydroxyamino)-3-phenylpropanoic acid?
The molecular formula of 3-(Hydroxyamino)-3-phenylpropanoic acid is C9H11NO3.
What is the molecular weight of 3-(Hydroxyamino)-3-phenylpropanoic acid?
The molecular weight of 3-(Hydroxyamino)-3-phenylpropanoic acid is 181.0739 g/mol.
Where can I buy 3-(Hydroxyamino)-3-phenylpropanoic acid?
You can request a quote for 3-(Hydroxyamino)-3-phenylpropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Hydroxyamino)-3-phenylpropanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Hydroxyamino)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.