3-Pyridinebutanenitrile

Base Information

• Chemical Name: 3-Pyridinebutanenitrile
• CAS No.: 27678-09-7
• Molecular Formula: C₉H₁₀N₂
• Molecular Weight: 146.192
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10543791
• Wikidata: Q82420752
• Mol file: 27678-09-7.mol

Synonyms:3-Pyridinebutanenitrile;27678-09-7;4-pyridin-3-ylbutanenitrile;4-(PYRIDIN-3-YL)BUTANENITRILE;4-Pyridin-3-yl-butyronitrile;4-(3-pyridyl)butyronitrile;SCHEMBL5724954;DTXSID10543791;KPISTRILDWVIKF-UHFFFAOYSA-N;AKOS006293121

Chemical Property of 3-Pyridinebutanenitrile

Chemical Property:

• Boiling Point: 305.6±25.0 °C(Predicted)
• PKA: 5.36±0.10(Predicted)
• PSA: 36.68000
• Density: 1.030±0.06 g/cm3(Predicted)
• LogP: 1.92788
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 146.084398327
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

99%min ^*data from raw suppliers

4-pyridin-2-yl-butyronitrile 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)CCCC#N