Fagaramide
[CAS# 60045-88-7]

Identification

• Name: Fagaramide
• Synonyms: 3-(1,3-Benzodioxol-5-Yl)-N-(2-Methylpropyl)Prop-2-Enamide; (E)-3-(1,3-Benzodioxol-5-Yl)-N-Isobutyl-Prop-2-Enamide; 3-(1,3-Benzodioxol-5-Yl)-N-Isobutyl-Prop-2-Enamide
• Molecular Formula: C₁₄H₁₇NO₃
• Molecular Weight: 247.29
• CAS Registry Number: 60045-88-7
• SMILES: C1=C(\C=C\C(NCC(C)C)=O)C=CC2=C1OCO2
• InChI: 1S/C14H17NO3/c1-10(2)8-15-14(16)6-4-11-3-5-12-13(7-11)18-9-17-12/h3-7,10H,8-9H2,1-2H3,(H,15,16)/b6-4+
• InChIKey: WKWYNAMJWDRHBP-GQCTYLIASA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 441.404°C at 760 mmHg (Cal.)
• Flash point: 220.753°C (Cal.)

References

• (1): D. S. Bohle and J. Fotie. 3-(1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)prop-2-enamide (fagaramide), Acta Cryst. (2006). E62, o3537-o3538