2,4-Dihydroxy-3,3,5-trimethylhexanenitrile

Base Information

• Chemical Name: 2,4-Dihydroxy-3,3,5-trimethylhexanenitrile
• CAS No.: 5333-89-1
• Molecular Formula: C9H17NO2
• Molecular Weight: 171.239
• NSC Number: 2357
• DSSTox Substance ID: DTXSID30277440
• Mol file: 5333-89-1.mol

Synonyms:2,4-DIHYDROXY-3,3,5-TRIMETHYLHEXANENITRILE;5333-89-1;NSC2357;DTXSID30277440;NSC 2357;NSC-2357

Chemical Property of 2,4-Dihydroxy-3,3,5-trimethylhexanenitrile

Chemical Property:

• Vapor Pressure: 6.92E-06mmHg at 25°C
• Boiling Point: 337.9°Cat760mmHg
• Flash Point: 158.2°C
• Density: 1.027g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(C)(C)C(C#N)O)O

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