1-Ethyl-2-henicosyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
Basic information
- CAS
93762-30-2- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCC1=[N+](CCO)CCN1CC.CCOS(=O)(=O)[O-]- InChIKey
ZLHKMDCAMABBRK-UHFFFAOYSA-M- Molecular formula
- C30H62N2O5S
- Average molar mass
- 562.9 g/mol
- Monoisotopic mass
- 562.43794426
Names & identifiers
- Preferred name
- 1-Ethyl-2-henicosyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
- IUPAC
- 2-(3-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol;ethyl sulfate
- English name
- 1-ethyl-2-henicosyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
- Molecular formula
- C30H62N2O5S
- Molecular weight
- 562.88868
Names & synonyms
EINECS 297-743-893762-30-21-Ethyl-2-henicosyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphateDTXSID70918143ZLHKMDCAMABBRK-UHFFFAOYSA-M3-Ethyl-2-henicosyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-3-ium ethyl sulfate
Database identifiers
- CAS
93762-30-2- PubChem CID
- 16205752
- DTXSID
DTXSID70918143- EC Number
- 297-743-8
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 24
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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