1-butyl-3-methyl-1H-imidazol-3-ium

Base Information

• Chemical Name: 1-butyl-3-methyl-1H-imidazol-3-ium
• CAS No.: 80432-08-2
• Molecular Formula: C8H15N2
• Molecular Weight: 139.21800
• UNII: 02N2G4U2OV
• DSSTox Substance ID: DTXSID6047238
• Nikkaji Number: J498.236C,J2.305.056K
• Wikipedia: C4mim
• Wikidata: Q5008232
• Metabolomics Workbench ID: 61597
• ChEMBL ID: CHEMBL1198608
• Mol file: 80432-08-2.mol

Synonyms:1-butyl-3-methylimidazolium;1-butyl-3-methylimidazolium acetate;1-butyl-3-methylimidazolium dodecyl sulfate;1-butyl-3-methylimidazolium trifluoroacetate;C4MIM compound;Pbmim compound

Chemical Property of 1-butyl-3-methyl-1H-imidazol-3-ium

Chemical Property:

• PSA: 8.81000
• LogP: 1.11270
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 139.123523487
• Heavy Atom Count: 10
• Complexity: 93.3

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCN1C=C[N+](=C1)C