[3-[(5-Nitrofuran-2-yl)methylideneamino]-2-oxo-1,3-diazinan-1-yl]methyl butanoate
[CAS# 92950-21-5]

Identification

• Name: [3-[(5-Nitrofuran-2-yl)methylideneamino]-2-oxo-1,3-diazinan-1-yl]methyl butanoate
• Synonyms: [3-[(5-Nitro-2-Furyl)Methyleneamino]-2-Oxo-Hexahydropyrimidin-1-Yl]Methyl Butanoate; Butanoic Acid [3-[(5-Nitro-2-Furyl)Methyleneamino]-2-Oxo-1-Hexahydropyrimidinyl]Methyl Ester; Butyric Acid [2-Keto-3-[(5-Nitro-2-Furyl)Methyleneamino]Hexahydropyrimidin-1-Y
• Molecular Formula: C₁₄H₁₈N₄O₆
• Molecular Weight: 338.32
• CAS Registry Number: 92950-21-5
• SMILES: C1=C(OC(=C1)[N+]([O-])=O)/C=N/N2C(=O)N(CCC2)COC(=O)CCC
• InChI: 1S/C14H18N4O6/c1-2-4-13(19)23-10-16-7-3-8-17(14(16)20)15-9-11-5-6-12(24-11)18(21)22/h5-6,9H,2-4,7-8,10H2,1H3/b15-9+
• InChIKey: GMARJEIJEOVNSM-OQLLNIDSSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 469.626°C at 760 mmHg (Cal.)
• Flash point: 237.821°C (Cal.)