1-(1-Isocyanatoethoxy)butane

Base Information

• Chemical Name: 1-(1-Isocyanatoethoxy)butane
• CAS No.: 1118-97-4
• Molecular Formula: C₇H₁₃NO₂
• Molecular Weight: 143.186
• DSSTox Substance ID: DTXSID80493835
• Mol file: 1118-97-4.mol

Synonyms:1-(1-isocyanatoethoxy)butane;1118-97-4;SCHEMBL5320735;1-(1-isocyanato-ethoxy)-butane;DTXSID80493835

Chemical Property of 1-(1-Isocyanatoethoxy)butane

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(C)N=C=O

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