2-Methyl-1-Oxido-4-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]Quinolin-1-Ium-3-Ol
[CAS# 108354-12-7]

Identification

• Name: 2-Methyl-1-Oxido-4-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]Quinolin-1-Ium-3-Ol
• Synonyms: 2-Methyl-1-Oxido-4-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]-3-Quinolin-1-Iumol; 3-Quinolinol, 2-Methyl-4-(3,7,11-Trimethyl-2,6,10-Dodecatrienyl)-, 1-Oxide; Aurachin B
• Molecular Formula: C₂₅H₃₃NO₂
• Molecular Weight: 379.54
• CAS Registry Number: 108354-12-7
• SMILES: C1=CC=CC2=C1C(=C(O)C(=[N+]2[O-])C)C\C=C(\CC\C=C(\CCC=C(C)C)C)C
• InChI: 1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-23-22-14-6-7-15-24(22)26(28)21(5)25(23)27/h6-7,10,12,14-16,27H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+
• InChIKey: ZNSLRZHNFFXDSE-YEFHWUCQSA-N

Properties

• Density: 1.002g/cm³ (Cal.)
• Boiling point: 556.972°C at 760 mmHg (Cal.)
• Flash point: 290.646°C (Cal.)