Diethyl 3-aminoglutaconate
diethyl 3-aminopent-2-enedioate
Also Known As: Diethyl 3-aminoglutaconate|diethyl 3-aminopent-2-enedioate
CAS: 54889-50-8
| Molecular Formula | C9H15NO4 |
|---|---|
| Molecular Weight | 201.10011 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 201.10011 |
| Monoisotopic Mass | 201.10011 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 54889-50-8 |
|---|---|
| SMILES | CCOC(=O)CC(=CC(=O)OCC)N |
| InChIKey | OKSCSBYHIMCKQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (5 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
Diethyl 3-aminoglutaconate (CAS 54889-50-8), with molecular formula C9H15NO4 and molecular weight 201.10011 g/mol. IUPAC: diethyl 3-aminopent-2-enedioate.
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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