6-Hydroxymelatonin

• CAS: 2208-41-5
• Catalog Number: ACM2208415
• Category: Other Products
• Molecular Weight: 248.28
• Molecular Formula: C13H16N2O3
• Synonyms: Melatonin, 6-hydroxy
• IUPAC Name: N-[2-(6-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
• Canonical SMILES: CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O
• InChI: InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
• InChI Key: OMYMRCXOJJZYKE-UHFFFAOYSA-N
• Boiling Point: 564.7±50.0 °C
• Melting Point: 172-175 °C
• Flash Point: 295.3 °C
• Density: 1.266±0.06 g/cm³
• Appearance: Solid
• Storage: Refrigerator
• Complexity: 298
• Exact Mass: 248.11609238
• Monoisotopic Mass: 248.11609238
• pKa: 10.12±0.40(Predicted)
• Refractive Index: 1.627
• Topological Polar Surface Area: 74.4 Ų