4a,5-Epoxyethano-3-Methyl-4a,5-Dihydrolumiflavin
[CAS# 112076-30-9]

Identification

• Name: 4a,5-Epoxyethano-3-Methyl-4a,5-Dihydrolumiflavin
• Synonyms: Emmdh-Flavin
• Molecular Formula: C₁₆H₁₈N₄O₃
• Molecular Weight: 314.34
• CAS Registry Number: 112076-30-9
• SMILES: C1=C3C(=CC(=C1C)C)N4C2(C(N(C(N=C2N3C)=O)C)=O)OCC4
• InChI: 1S/C16H18N4O3/c1-9-7-11-12(8-10(9)2)20-5-6-23-16(20)13(18(11)3)17-15(22)19(4)14(16)21/h7-8H,5-6H2,1-4H3
• InChIKey: IDDNVOFTRGCBDX-UHFFFAOYSA-N

Properties

• Density: 1.454g/cm³ (Cal.)
• Boiling point: 506.572°C at 760 mmHg (Cal.)
• Flash point: 260.166°C (Cal.)