1-Geranylazacycloheptan-2-one

Base Information

• Chemical Name: 1-Geranylazacycloheptan-2-one
• CAS No.: 117694-76-5
• Molecular Formula: C16H27 N O
• Molecular Weight: 249.3917
• DSSTox Substance ID: DTXSID101347783
• Nikkaji Number: J354.822H,J325.990K
• Mol file: 117694-76-5.mol

Synonyms:1-GACHO;1-geranylazacycloheptan-2-one;1-geranylazacycloheptan-2-one, (E)-isomer

Chemical Property of 1-Geranylazacycloheptan-2-one

Chemical Property:

• Vapor Pressure: 2.38E-06mmHg at 25°C
• Boiling Point: 391.9°Cat760mmHg
• Flash Point: 160.2°C
• PSA: 20.31000
• Density: 0.929g/cm³
• LogP: 4.01960
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 249.209264485
• Heavy Atom Count: 18
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCN1CCCCCC1=O)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CN1CCCCCC1=O)/C)C