2-Heptyl-1H-Quinolin-4-One
[CAS# 2503-80-2]

Identification

• Name: 2-Heptyl-1H-Quinolin-4-One
• Synonyms: 2-Heptyl-4-Quinolone; 2-Heptyl-4-Hydroxyquinoline; 4-Quinolinol, 2-Heptyl-
• Molecular Formula: C₁₆H₂₁NO
• Molecular Weight: 243.35
• CAS Registry Number: 2503-80-2
• SMILES: C1=CC=CC2=C1C(C=C(N2)CCCCCCC)=O
• InChI: 1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)
• InChIKey: UYRHHBXYXSYGHA-UHFFFAOYSA-N

Properties

• Density: 1.013g/cm³ (Cal.)
• Boiling point: 361.454°C at 760 mmHg (Cal.)
• Flash point: 124.896°C (Cal.)

References

• (1): Justin S. Cisar and Derek S. Tan. Small molecule inhibition of microbial natural productbiosynthesis—an emerging antibiotic strategy, Chem. Soc. Rev., 2008, 37, 1320.