4-Aminobut-2-ynenitrile

Base Information

• Chemical Name: 4-Aminobut-2-ynenitrile
• CAS No.: 739362-18-6
• Molecular Formula: C4H4N2
• Molecular Weight: 80.08800
• ChEMBL ID: CHEMBL3947059
• DSSTox Substance ID: DTXSID60580974
• Nikkaji Number: J1.910.636E
• Wikidata: Q82471982
• Mol file: 739362-18-6.mol

Synonyms:4-AMINOBUT-2-YNENITRILE;739362-18-6;CHEMBL3947059;DTXSID60580974;BDBM185639;AKOS006353059;US9161922, Table 1, Compound 5

Chemical Property of 4-Aminobut-2-ynenitrile

Chemical Property:

• Boiling Point: 157.4±42.0 °C(Predicted)
• PSA: 49.81000
• Density: 1.068±0.06 g/cm3(Predicted)
• LogP: 0.17238
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 80.037448136
• Heavy Atom Count: 6
• Complexity: 125

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C#CC#N)N