Basic information
- CAS
80432-08-2- Standard SMILES
CCCCn1cc[n+](C)c1- InChIKey
IQQRAVYLUAZUGX-UHFFFAOYSA-N- Molecular formula
- C8H15N2+
- Average molar mass
- 139.22 g/mol
- Monoisotopic mass
- 139.1229749
Overview
1-butyl-3-methylimidazolium is a 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is butyl.
Names & identifiers
- Preferred name
- 1-Butyl-3-methylimidazolium
- IUPAC
- 1-butyl-3-methylimidazol-3-ium
Names & synonyms
BmimButylmethylimidazoliumC4mim1-butyl-3-methyl-1H-imidazol-3-ium1-Butyl-3-methylimidazolium1-Methyl-3-butylimidazolium3-Butyl-1-methylimidazolium80432-08-21H-Imidazolium, 3-butyl-1-methyl-02N2G4U2OVCHEBI:61333Pbmim compound
Show more names
C4MIM compoundRefChem:9075321-butyl-3-methylimidazol-3-iumButylmethylimidazolium [MI]UNII-02N2G4U2OV[bmim][C4mim]N-butyl-N'-methylimidazolium
Database identifiers
- CAS
80432-08-2- PubChem CID
- 2734162
- DTXSID
DTXSID6047238- ChEMBL
CHEMBL1198608- ChEBI
CHEBI:61333- UNII
- 02N2G4U2OV
- Nikkaji
- J2.305.056K、J498.236C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 8.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 1
- Complexity
- 93.3
Experimental & physicochemical properties
Collision Cross Section129.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6031461]
Related reactions
5 records
Compound notes
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