4-Hexyl-4H-1,2,4-triazole

Base Information

• Chemical Name: 4-Hexyl-4H-1,2,4-triazole
• CAS No.: 27104-97-8
• Molecular Formula: C₈H₁₅N₃
• Molecular Weight: 153.227
• DSSTox Substance ID: DTXSID501312168
• Nikkaji Number: J1.464.431H
• Mol file: 27104-97-8.mol

Synonyms:4-Hexyl-4H-1,2,4-triazole;SCHEMBL10981743;DTXSID501312168;27104-97-8

Chemical Property of 4-Hexyl-4H-1,2,4-triazole

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 153.126597491
• Heavy Atom Count: 11
• Complexity: 89.3

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCN1C=NN=C1