1,7-Diisocyanatoheptane

Base Information

• Chemical Name: 1,7-Diisocyanatoheptane
• CAS No.: 18020-78-5
• Molecular Formula: C₉H₁₄N₂O₂
• Molecular Weight: 182.222
• DSSTox Substance ID: DTXSID80500391
• Nikkaji Number: J803.908I
• Mol file: 18020-78-5.mol

Synonyms:1,7-diisocyanatoheptane;18020-78-5;Heptane, 1,7-diisocyanato-;heptamethylene diisocyanate;SCHEMBL58661;DTXSID80500391;UTFSEWQOIIZLRH-UHFFFAOYSA-N

Chemical Property of 1,7-Diisocyanatoheptane

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 182.105527694
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCN=C=O)CCCN=C=O

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