Methyl 1-hexylimidazole-5-carboxylate
Basic information
- CAS
143912-51-0- Standard SMILES
CCCCCCn1cncc1C(=O)OC- InChIKey
BMQVDSALDYSTTA-UHFFFAOYSA-N- Molecular formula
- C11H18N2O2
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.13682782
Names & identifiers
- Preferred name
- Methyl 1-hexylimidazole-5-carboxylate
- IUPAC
- methyl 3-hexylimidazole-4-carboxylate
Names & synonyms
methyl 1-hexylimidazole-5-carboxylatemethyl 1-hexyl-1H-imidazole-5-carboxylate143912-51-0SCHEMBL8799103BMQVDSALDYSTTA-UHFFFAOYSA-NDTXSID501270895
Database identifiers
- CAS
143912-51-0- PubChem CID
- 20077582
- DTXSID
DTXSID501270895
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
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Related reactions
5 records
Compound notes
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