2H-Azepin-2-one, hexahydro-1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-

Base Information

• Chemical Name: 2H-Azepin-2-one, hexahydro-1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-
• CAS No.: 117694-77-6
• Molecular Formula: C21H35 N O
• Molecular Weight: 0
• Nikkaji Number: J325.991I
• Mol file: 117694-77-6.mol

Synonyms:1-FACHO;1-farnesylazacycloheptan-2-one;1-farnesylazacycloheptan-2-one, (E,E)-isomer;1-farnesylazacycloheptan-2-one, (Z,E)-isomer

Chemical Property of 2H-Azepin-2-one, hexahydro-1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-

Chemical Property:

• Vapor Pressure: 1.49E-08mmHg at 25°C
• Boiling Point: 457.4°C at 760 mmHg
• Flash Point: 185.5°C
• PSA: 20.31000
• Density: 0.922g/cm³
• LogP: 5.74610
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 317.271864740
• Heavy Atom Count: 23
• Complexity: 453

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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