5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid
5-[4-(cyanomethyl)anilino]-5-oxo-3-phenylpentanoic acid
Also Known As: Oprea1_642878|4-{[4-(cyanomethyl)phenyl]carbamoyl}-3-phenylbutanoic acid|5-[4-(cyanomethyl)anilino]-5-oxo-3-phenylpentanoic acid|4-[[4-(cyanomethyl)phenyl]carbamoyl]-3-phenyl-butanoic Acid|5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid
CAS: 698346-48-4
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13174 g/mol |
| LogP | 3.33978 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.13174 |
| Monoisotopic Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 733.4573 |
Chemical Identifiers
| CAS Number | 698346-48-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)CC#N)CC(=O)O |
Product Overview
5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid (CAS 698346-48-4), with molecular formula C19H18N2O3 and molecular weight 322.13174 g/mol. IUPAC: 5-[4-(cyanomethyl)anilino]-5-oxo-3-phenylpentanoic 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.
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5-((4-(Cyanomethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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