3-Amino-4-(1-Methylpropyl)-5(2H)-Isoxazolone
[CAS# 6972-95-8]

Identification

• Name: 3-Amino-4-(1-Methylpropyl)-5(2H)-Isoxazolone
• Synonyms: 3-Amino-4-Sec-Butyl-2H-Isoxazol-5-One; Nsc62381; Nciopen2_000043
• Molecular Formula: C₇H₁₂N₂O₂
• Molecular Weight: 156.18
• CAS Registry Number: 6972-95-8
• SMILES: C(C(C1=C(N)NOC1=O)C)C
• InChI: 1S/C7H12N2O2/c1-3-4(2)5-6(8)9-11-7(5)10/h4,9H,3,8H2,1-2H3
• InChIKey: NJEWGJAOFWGSPY-UHFFFAOYSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 216.783°C at 760 mmHg (Cal.)
• Flash point: 84.908°C (Cal.)