1-Farnesylazacycloheptan-2-One
[CAS# 117694-77-6]

Identification

• Name: 1-Farnesylazacycloheptan-2-One
• Synonyms: 1-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]-2-Azepanone; 1-Facho; 1-Farnesylazacycloheptan-2-One
• Molecular Formula: C₂₁H₃₅NO
• Molecular Weight: 317.51
• CAS Registry Number: 117694-77-6
• SMILES: C(N1C(CCCCC1)=O)\C=C(\CC\C=C(\CCC=C(C)C)C)C
• InChI: 1S/C21H35NO/c1-18(2)10-8-11-19(3)12-9-13-20(4)15-17-22-16-7-5-6-14-21(22)23/h10,12,15H,5-9,11,13-14,16-17H2,1-4H3/b19-12+,20-15+
• InChIKey: IGLWKWHEKADLNX-IRVPIMSSSA-N

Properties

• Density: 0.923g/cm³ (Cal.)
• Boiling point: 457.442°C at 760 mmHg (Cal.)
• Flash point: 185.501°C (Cal.)