N-Acetyldopamine Quinone Methide
[CAS# 117333-16-1]

Identification

• Name: N-Acetyldopamine Quinone Methide
• Synonyms: N-[(2E)-2-(3-Hydroxy-4-Keto-1-Cyclohexa-2,5-Dienylidene)Ethyl]Acetamide; N-[(2E)-2-(3-Hydroxy-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Ethyl]Ethanamide; Acetamide, N-(2-(3-Hydroxy-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Ethyl)-
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.20
• CAS Registry Number: 117333-16-1
• SMILES: C(NC(=O)C)/C=C1/C=C(O)C(=O)C=C1
• InChI: 1S/C10H11NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-4,6,14H,5H2,1H3,(H,11,12)/b8-4+
• InChIKey: HZUDLKIKKKYMQA-XBXARRHUSA-N

Properties

• Density: 1.373g/cm³ (Cal.)
• Boiling point: 494.915°C at 760 mmHg (Cal.)
• Flash point: 253.116°C (Cal.)