1H-Imidazolium, 1-ethyl-2-(heptadecen-1-yl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (1:1)
Basic information
- CAS
68140-93-2- Standard SMILES
CCCCCCCC/C=C/CCCCCCCC1=[N+](CCO)CCN1CC.CCOS(=O)(=O)[O-]- InChIKey
MXMQMRFRFCOVNB-UHFFFAOYSA-M- Molecular formula
- C24H47N2O.C2H5O4S
- Average molar mass
- 504.8 g/mol
- Monoisotopic mass
- 504.35969394
Names & identifiers
- Preferred name
- 1H-Imidazolium, 1-ethyl-2-(heptadecen-1-yl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (1:1)
- IUPAC
- 2-[3-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol;ethyl sulfate
- English name
- 1-ethyl-2-(heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
- Molecular formula
- C26H52N2O5S
- Molecular weight
- 506.78
Names & synonyms
1-Hydroxyethyl-2-heptadecenylimidazoline diethyl sulfateEINECS 268-817-768140-93-21H-Imidazolium, 1-ethyl-2-(heptadecen-1-yl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (1:1)1H-Imidazolium, 1-ethyl-2-(heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (salt)RefChem:79821SCHEMBL42469591-Ethyl-2-(heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
Database identifiers
- CAS
68140-93-2- PubChem CID
- 6437487
- EC Number
- 268-817-7
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 507
Physicochemical properties
- EPA Substance Registry System
- 1 H-Imidazolium, · 1H-Imidazolium, 1-ethyl-2-(heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (salt) (68140-93-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1H-Imidazolium, 1-ethyl-2-(heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (salt)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Imidazolium, 1-ethyl-2-(heptadecen-1-yl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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