Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-
2-acetamido-4-(2-aminophenyl)-4-oxobutanoic acid
Also Known As: Acetylkynurenine|Acetyl kynurenine|N-Acetylkynurenin|Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo-|2-acetamido-4-(2-aminophenyl)-4-oxobutanoic acid|4-(2-Aminophenyl)-2-[(1-hydroxyethylidene)amino]-4-oxobutanoic acid
CAS: 2044-53-3
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.09535 g/mol |
| LogP | 0.4309 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.09535 |
| Monoisotopic Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 484.72067 |
Chemical Identifiers
| CAS Number | 2044-53-3 |
|---|---|
| SMILES | CC(=O)NC(CC(=O)C1=CC=CC=C1N)C(=O)O |
Product Overview
Benzenebutanoic acid, alpha-(acetylamino)-2-amino-gamma-oxo- (CAS 2044-53-3), with molecular formula C12H14N2O4 and molecular weight 250.09535 g/mol. IUPAC: 2-acetamido-4-(2-aminophenyl)-4-oxobutanoic 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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