3-(1H-Imidazol-1-yl)pyrazine-2-carbonitrile

Base Information

• Chemical Name: 3-(1H-Imidazol-1-yl)pyrazine-2-carbonitrile
• CAS No.: 342412-44-6
• Molecular Formula: C8H5 N5
• Molecular Weight: 171.16
• Hs Code.: 2933990090
• European Community (EC) Number: 639-344-7
• DSSTox Substance ID: DTXSID50574307
• Wikidata: Q82463304
• Mol file: 342412-44-6.mol

Synonyms:3-(1H-Imidazol-1-yl)pyrazine-2-carbonitrile;342412-44-6;3-imidazol-1-ylpyrazine-2-carbonitrile;DTXSID50574307;MFCD09414743;AKOS011978921;PS-5553;CS-0451369

Chemical Property of 3-(1H-Imidazol-1-yl)pyrazine-2-carbonitrile

Chemical Property:

• Vapor Pressure: 1.54E-07mmHg at 25°C
• Refractive Index: 1.712
• Boiling Point: 428.2°Cat760mmHg
• PKA: 1.54±0.10(Predicted)
• Flash Point: 212.8°C
• PSA: 67.39000
• Density: 1.35g/cm³
• LogP: 0.53398
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 171.05449518
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

98% ^*data from raw suppliers

3-(1H-Imidazol-1-yl)pyrazine-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C(=N1)C#N)N2C=CN=C2