Ethyl 2-Oxocyclononanecarboxylate
[CAS# 4017-57-6]

Identification

• Name: Ethyl 2-Oxocyclononanecarboxylate
• Synonyms: 4-(4-Fluorophenyl)-N-(2-Methoxyphenyl)-1-Piperazinecarboxamide; St075970; Smr000118816
• Molecular Formula: C₁₈H₂₀FN₃O₂
• Molecular Weight: 329.37
• CAS Registry Number: 4017-57-6
• EINECS: 223-679-7
• SMILES: C3=C(N2CCN(C(NC1=CC=CC=C1OC)=O)CC2)C=CC(=C3)F
• InChI: 1S/C18H20FN3O2/c1-24-17-5-3-2-4-16(17)20-18(23)22-12-10-21(11-13-22)15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3,(H,20,23)
• InChIKey: GWQMXAJEBGYNQR-UHFFFAOYSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 551.865°C at 760 mmHg (Cal.)
• Flash point: 287.558°C (Cal.)