Basic information
- CAS
45470-32-4- Standard SMILES
Cn1cc[n+](C)c1- InChIKey
HVVRUQBMAZRKPJ-UHFFFAOYSA-N- Molecular formula
- C5H9N2+
- Average molar mass
- 97.14 g/mol
- Monoisotopic mass
- 97.0765733
Names & identifiers
- Preferred name
- 1,3-Dimethylimidazolium
- IUPAC
- 1,3-dimethylimidazol-1-ium
- English name
- 1,3-Dimethyl-1-aza-3-azonia-2,4-cyclopentadiene
- Molecular formula
- C5H9N2+
- Molecular weight
- 97.14
Names & synonyms
1,3-DIMETHYLIMIDAZOLIUM1,3-dimethyl-1H-imidazol-3-ium45470-32-4DTXSID1048095CHEBI:61322RefChem:72736DTXCID20280661,3-dimethylimidazol-1-ium[dmim]SCHEMBL35176SCHEMBL6400304SCHEMBL6400386
Show more names
1,3-Dimethyl-3H-imidazole-1-ium1,3-Dimethyl-1-aza-3-azonia-2,4-cyclopentadiene
CHEMBL1229272SCHEMBL204953821,3-dimethylimidazolenyl carbeneAKOS032954361CS-0184054Q27131029
Database identifiers
- CAS
45470-32-4- PubChem CID
- 20335
- DTXSID
DTXSID1048095- ChEMBL
CHEMBL1229272- ChEBI
CHEBI:61322- Nikkaji
- J2.541.812C、J336.085G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 8.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 1
- Complexity
- 55
Chemistry & industry
Additional notes
DefinitionChEBI: 1,3-dimethylimidazolium is a 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is methyl.
Related reactions
9 records
Compound notes
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