Basic information
- Standard SMILES
CCCn1cncc1C- InChIKey
SLXDSUHPWSGQJC-UHFFFAOYSA-N- Molecular formula
- C7H12N2
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.10004839
Names & identifiers
- Preferred name
- 5-Methyl-1-propylimidazole
- IUPAC
- 5-methyl-1-propylimidazole
Names & synonyms
5-methyl-1-propylimidazole5-Methyl-1-propyl-1H-imidazole1H-Imidazole, 5-methyl-1-propyl144748-27-61H-Imidazole,5-methyl-1-propyl-(9CI)SCHEMBL5657481SCHEMBL6103985
Database identifiers
- PubChem CID
- 529340
- Nikkaji
- J3.217.907J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Experimental & physicochemical properties
Kovats Retention Index
1196
1900
Related reactions
1 records
Compound notes
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