3-(Aminomethylene)-2,4-Pentanedione
[CAS# 71591-87-2]

Identification

• Name: 3-(Aminomethylene)-2,4-Pentanedione
• Synonyms: 3-(Aminomethylene)Pentane-2,4-Dione; Nsc48097
• Molecular Formula: C₆H₉NO₂
• Molecular Weight: 127.14
• CAS Registry Number: 71591-87-2
• SMILES: CC(C(C(=O)C)=CN)=O
• InChI: 1S/C6H9NO2/c1-4(8)6(3-7)5(2)9/h3H,7H2,1-2H3
• InChIKey: CGHZFGVFWZGUPK-UHFFFAOYSA-N

Properties

• Density: 1.069g/cm³ (Cal.)
• Boiling point: 276.527°C at 760 mmHg (Cal.)
• Flash point: 121.039°C (Cal.)

References

• (1): M. Gróf, V. Milata and J. Kozísek. 3-(Aminomethylene)pentane-2,4-dione, Acta Cryst. (2006). E62, o4464-o4465