Butane-1,4-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one

Base Information

• Chemical Name: Butane-1,4-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one
• CAS No.: 53504-41-9
• Molecular Formula: C25H42N2O6
• Molecular Weight: 90.12
• European Community (EC) Number: 611-004-2
• Mol file: 53504-41-9.mol

Synonyms:53504-41-9;SCHEMBL1091617

Chemical Property of Butane-1,4-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane;oxepan-2-one

Chemical Property:

• Boiling Point: 363.4°Cat760mmHg
• Flash Point: 149.8°C
• PSA: 125.62000
• Density: g/cm³
• LogP: 4.02050
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 466.30428706
• Heavy Atom Count: 33
• Complexity: 438

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)OCC1.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C(CCO)CO