N~2~-(Trifluoroacetyl)asparagine
4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Also Known As: N~2~-(Trifluoroacetyl)asparagine|3-carbamoyl-2-(trifluoroacetamido)propanoic acid|4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CAS: 455-45-8
| Molecular Formula | C6H7F3N2O4 |
|---|---|
| Molecular Weight | 228.0358 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.0358 |
| Monoisotopic Mass | 228.0358 |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 455-45-8 |
|---|---|
| SMILES | C(C(C(=O)O)NC(=O)C(F)(F)F)C(=O)N |
| InChIKey | BJMXKMSTCRAHAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (11 patents)
Pharmaceutical Intermediates (4 patents)
Product Overview
N~2~-(Trifluoroacetyl)asparagine (CAS 455-45-8), with molecular formula C6H7F3N2O4 and molecular weight 228.0358 g/mol. IUPAC: 4-amino-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoic 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 →
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