5-(Azepan-1-Ylmethyl)-3-Bromo-4,5-Dimethylfuran-2-One
[CAS# 104502-49-0]

Identification

• Name: 5-(Azepan-1-Ylmethyl)-3-Bromo-4,5-Dimethylfuran-2-One
• Synonyms: 5-(Azepan-1-Ylmethyl)-3-Bromo-4,5-Dimethyl-Furan-2-One; 5-(1-Azepanylmethyl)-3-Bromo-4,5-Dimethyl-2-Furanone; Brn 4689509
• Molecular Formula: C₁₃H₂₀BrNO₂
• Molecular Weight: 302.21
• CAS Registry Number: 104502-49-0
• SMILES: C(N1CCCCCC1)C2(OC(=O)C(=C2C)Br)C
• InChI: 1S/C13H20BrNO2/c1-10-11(14)12(16)17-13(10,2)9-15-7-5-3-4-6-8-15/h3-9H2,1-2H3
• InChIKey: YRZKWGYROZTWQU-UHFFFAOYSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 398.061°C at 760 mmHg (Cal.)
• Flash point: 194.54°C (Cal.)