1-Geranylazacycloheptan-2-One
[CAS# 117694-76-5]

Identification

• Name: 1-Geranylazacycloheptan-2-One
• Synonyms: 1-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-2-Azepanone; 1-Geranylazacycloheptan-2-One; 2H-Azepin-2-One, 1-(3,7-Dimethyl-2,6-Octadienyl)Hexahydro-
• Molecular Formula: C₁₆H₂₇NO
• Molecular Weight: 249.40
• CAS Registry Number: 117694-76-5
• SMILES: C(N1C(CCCCC1)=O)\C=C(\CCC=C(C)C)C
• InChI: 1S/C16H27NO/c1-14(2)8-7-9-15(3)11-13-17-12-6-4-5-10-16(17)18/h8,11H,4-7,9-10,12-13H2,1-3H3/b15-11+
• InChIKey: IZUPQLMOLYRSQK-RVDMUPIBSA-N

Properties

• Density: 0.93g/cm³ (Cal.)
• Boiling point: 391.887°C at 760 mmHg (Cal.)
• Flash point: 160.197°C (Cal.)