Basic information
- CAS
757124-04-2- Standard SMILES
CCCCCCCC1=NCC[N+]1(CCO)CC(O)CS(=O)(=O)O- InChIKey
SQRZVUZNAJOWRF-UHFFFAOYSA-O- Molecular formula
- C15H31N2O5S+
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.19536827
Names & identifiers
- Preferred name
- 2-Heptyl-4,5-dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-1H-imidazolium (
- IUPAC
- 3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxypropane-1-sulfonic acid
Names & synonyms
DTXSID9013741742-Heptyl-4,5-dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-1H-imidazolium (757124-04-2
Database identifiers
- CAS
757124-04-2- PubChem CID
- 84376
- DTXSID
DTXSID901374174
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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