Pemoline
[CAS# 101053-01-4]

Identification

• Name: Pemoline
• Synonyms: 2-Amino-5-Phenyl-Oxazol-4-One; 2-Amino-5-Phenyl-4-Oxazolone; 2-Amino-5-Phenyl-1,3-Oxazol-4(5H)-One
• Molecular Formula: C₉H₈N₂O₂
• Molecular Weight: 176.17
• CAS Registry Number: 101053-01-4
• SMILES: C1=CC=CC=C1C2OC(=NC2=O)N
• InChI: 1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)
• InChIKey: NRNCYVBFPDDJNE-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 313.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 143.4±28.7°C (Cal.)
• solubility: Soluble to 10 mM in ethanol

References

• (1): Paula L. Caradoc-Davies, Duncan H. Gregory, Lyall R. Hanton and Julia M. Turnbull. Probing copper halide supramolecular arrays of a ditopic ligand with complexes of a monotopic analogue, Dalton Trans., 2002, 0, 1574.