N-Acetyl-3-Hydroxykynurenine
[CAS# 13384-36-6]

Identification

• Name: N-Acetyl-3-Hydroxykynurenine
• Synonyms: 2-Acetamido-4-(2-Amino-3-Hydroxy-Phenyl)-4-Oxo-Butanoic Acid; 2-Acetamido-4-(2-Amino-3-Hydroxy-Phenyl)-4-Keto-Butyric Acid; Benzenebutanoic Acid, Alpha-(Acetylamino)-2-Amino-3-Hydroxy-Gamma-Oxo-
• Molecular Formula: C₁₂H₁₄N₂O₅
• Molecular Weight: 266.25
• CAS Registry Number: 13384-36-6
• SMILES: C1=C(C(=O)CC(NC(=O)C)C(=O)O)C(=C(O)C=C1)N
• InChI: 1S/C12H14N2O5/c1-6(15)14-8(12(18)19)5-10(17)7-3-2-4-9(16)11(7)13/h2-4,8,16H,5,13H2,1H3,(H,14,15)(H,18,19)
• InChIKey: NXVKHTBMQFFREL-UHFFFAOYSA-N

Properties

• Density: 1.411g/cm³ (Cal.)
• Boiling point: 648.092°C at 760 mmHg (Cal.)
• Flash point: 345.754°C (Cal.)