3-Amino-1-Phenyl-2-Buten-1-One
[CAS# 1128-85-4]

Identification

• Name: 3-Amino-1-Phenyl-2-Buten-1-One
• Synonyms: 3-Amino-1-Phenylbut-2-En-1-One; 3-Amino-1-Phenyl-But-2-En-1-One; (E)-3-Amino-1-Phenyl-But-2-En-1-One
• Molecular Formula: C₁₀H₁₁NO
• Molecular Weight: 161.20
• CAS Registry Number: 1128-85-4
• SMILES: C1=CC=C(C=C1)C(=O)\C=C(N)/C
• InChI: 1S/C10H11NO/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-7H,11H2,1H3/b8-7+
• InChIKey: GHPWHAXKMNDINZ-BQYQJAHWSA-N

Properties

• Density: 1.067g/cm³ (Cal.)
• Boiling point: 264.208°C at 760 mmHg (Cal.)
• Flash point: 113.589°C (Cal.)

References

• (1): Petr Šimunek, Valerio Bertolasi, Markéta Pešková, Vladimír Machá?ek and Antonín Ly?ka. Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone, Org. Biomol. Chem., 2005, 3, 1217.