4-(beta-(7-Dimethylamino-1,4-Benzoxazin-2-One-3-Yl)Vinyl)Phenylpropenoic Acid
[CAS# 126959-78-2]

Identification

• Name: 4-(beta-(7-Dimethylamino-1,4-Benzoxazin-2-One-3-Yl)Vinyl)Phenylpropenoic Acid
• Synonyms: (E)-3-[4-[(E)-2-(7-Dimethylamino-2-Oxo-1,4-Benzoxazin-3-Yl)Vinyl]Phenyl]Prop-2-Enoic Acid; (E)-3-[4-[(E)-2-(7-Dimethylamino-2-Keto-1,4-Benzoxazin-3-Yl)Vinyl]Phenyl]Acrylic Acid; 2-Propenoic Acid, 3-(4-(2-(7-(Dimethylamino)-2-Oxo-2H-1,4-Benzoxazin-3-Yl)Ethenyl)Phenyl)-
• Molecular Formula: C₂₁H₁₈N₂O₄
• Molecular Weight: 362.38
• CAS Registry Number: 126959-78-2
• SMILES: C2=C1OC(=O)C(=NC1=CC=C2N(C)C)\C=C\C3=CC=C(C=C3)\C=C\C(=O)O
• InChI: 1S/C21H18N2O4/c1-23(2)16-9-11-17-19(13-16)27-21(26)18(22-17)10-7-14-3-5-15(6-4-14)8-12-20(24)25/h3-13H,1-2H3,(H,24,25)/b10-7+,12-8+
• InChIKey: IBKDGFLXNQKJGK-SMTGYRLFSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 608.068°C at 760 mmHg (Cal.)
• Flash point: 321.548°C (Cal.)