4-(2-Aminopyrimidin-4-yl)benzonitrile

Base Information

• Chemical Name: 4-(2-Aminopyrimidin-4-yl)benzonitrile
• CAS No.: 874774-26-2
• Molecular Formula: C11H8 N4
• Molecular Weight: 196.20802
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90699164
• Wikidata: Q82629948
• Mol file: 874774-26-2.mol

Synonyms:4-(2-Aminopyrimidin-4-yl)benzonitrile;874774-26-2;4-(4-CYANOPHENYL)PYRIMIDIN-2-AMINE;DTXSID90699164;SB56869

Chemical Property of 4-(2-Aminopyrimidin-4-yl)benzonitrile

Chemical Property:

• Boiling Point: 481.0±47.0 °C(Predicted)
• PKA: 2.80±0.10(Predicted)
• PSA: 75.59000
• Density: 1.31±0.1 g/cm3(Predicted)
• LogP: 2.17868
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 196.074896272
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

4-(2-aminopyrimidin-4-yl)benzonitrile 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)C2=NC(=NC=C2)N