3-Acetyl-2-amino-2,4,6-cycloheptatrien-1-one
[CAS# 85470-06-0]

Identification

• Name: 3-Acetyl-2-amino-2,4,6-cycloheptatrien-1-one
• Synonyms: 3-acetyl-2-aminocyclohepta-2,4,6-trienone
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.17
• CAS Registry Number: 85470-06-0
• SMILES: N\C1=C(\C=C/C=C\C1=O)C(C)=O
• InChI: 1S/C9H9NO2/c1-6(11)7-4-2-3-5-8(12)9(7)10/h2-5H,1H3,(H2,10,12)
• InChIKey: FKQOBWYGTKUYGX-UHFFFAOYSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 323.879°C at 760 mmHg (Cal.)
• Flash point: 149.677°C (Cal.)