2-(Butylamino)-3-phenylpropanoic acid
2-(butylamino)-3-phenylpropanoic acid
Also Known As: n-butylphenylalanine|L-Phenylalanine,N-butyl-|NCIOpen2_003002|2-(butylamino)-3-phenylpropanoic acid|2-(Butylamino)-3-phenylpropionic acid|(2S)-2-(butylamino)-3-phenylpropanoic acid
CAS: 4561-90-4
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14159 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 221.14159 |
| Monoisotopic Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 4561-90-4 |
|---|---|
| SMILES | CCCCNC(CC1=CC=CC=C1)C(=O)O |
| InChIKey | XJUJRXBTMCGHTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Organometallic Reagents (3 patents)
Peptides & Amino Acids (4 patents)
Pharmaceutical Intermediates (9 patents)
Product Overview
2-(Butylamino)-3-phenylpropanoic acid (CAS 4561-90-4), with molecular formula C13H19NO2 and molecular weight 221.14159 g/mol. IUPAC: 2-(butylamino)-3-phenylpropanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
2-(Butylamino)-3-phenylpropanoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »