Nonabine
[CAS# 16985-03-8]

Identification

• Name: Nonabine
• Synonyms: 7-(1,2-Dimethylheptyl)-2,2-Dimethyl-4-(4-Pyridyl)Chromen-5-Ol; 7-(1,2-Dimethylheptyl)-2,2-Dimethyl-4-(4-Pyridyl)-5-Chromenol; 2,2-Dimethyl-7-(3-Methyloctan-2-Yl)-4-Pyridin-4-Yl-Chromen-5-Ol
• Molecular Formula: C₂₅H₃₃NO₂
• Molecular Weight: 379.54
• CAS Registry Number: 16985-03-8
• SMILES: C3=C(C1=CC(C)(C)OC2=C1C(=CC(=C2)C(C(CCCCC)C)C)O)C=CN=C3
• InChI: 1S/C25H33NO2/c1-6-7-8-9-17(2)18(3)20-14-22(27)24-21(19-10-12-26-13-11-19)16-25(4,5)28-23(24)15-20/h10-18,27H,6-9H2,1-5H3
• InChIKey: YHUDSHIRWOVVCV-UHFFFAOYSA-N

Properties

• Density: 1.047g/cm³ (Cal.)
• Boiling point: 504.621°C at 760 mmHg (Cal.)
• Flash point: 258.986°C (Cal.)