Metyrapone N-Oxide
[CAS# 63473-06-3]

Identification

• Name: Metyrapone N-Oxide
• Synonyms: 2-Methyl-2-(1-Oxidopyridin-1-Ium-3-Yl)-1-(3-Pyridyl)Propan-1-One; 2-Methyl-2-(1-Oxido-3-Pyridin-1-Iumyl)-1-(3-Pyridyl)Propan-1-One; 2-Methyl-2-(1-Oxidopyridin-1-Ium-3-Yl)-1-Pyridin-3-Yl-Propan-1-One
• Molecular Formula: C₁₄H₁₄N₂O₂
• Molecular Weight: 242.28
• CAS Registry Number: 63473-06-3
• SMILES: C1=NC=CC=C1C(C(C)(C2=C[N+](=CC=C2)[O-])C)=O
• InChI: 1S/C14H14N2O2/c1-14(2,12-6-4-8-16(18)10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
• InChIKey: GELOUZMFFBRHFP-UHFFFAOYSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 479.733°C at 760 mmHg (Cal.)
• Flash point: 243.934°C (Cal.)