1-Butyl-3-{2-[(2-methylacryloyl)oxy]ethyl}-2,3-dihydro-1H-imidazol-1-ium
Basic information
- CAS
796738-90-4- Standard SMILES
C=C(C)C(=O)OCCN1C=C[NH+](CCCC)C1- InChIKey
LRRCRNQDUQHCRW-UHFFFAOYSA-O- Molecular formula
- C13H23N2O2+
- Average molar mass
- 239.33 g/mol
- Monoisotopic mass
- 239.17595298
Names & identifiers
- Preferred name
- 1-Butyl-3-{2-[(2-methylacryloyl)oxy]ethyl}-2,3-dihydro-1H-imidazol-1-ium
- IUPAC
- 2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethyl 2-methylprop-2-enoate
Names & synonyms
796738-90-4DTXSID208237581-Butyl-3-{2-[(2-methylacryloyl)oxy]ethyl}-2,3-dihydro-1H-imidazol-1-ium1-Butyl-3-{2-[(2-methylprop-2-enoyl)oxy]ethyl}-2,3-dihydro-1H-imidazol-1-ium
Database identifiers
- CAS
796738-90-4- PubChem CID
- 71402809
- DTXSID
DTXSID20823758
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 1
- Complexity
- 300
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Compound notes
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