1H-Imidazolium, 1-ethyl-2-(8-heptadecen-1-yl)-4,5-dihydro-3-[2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethyl]-, ethyl sulfate (1:1)
Basic information
- CAS
68016-01-3- Standard SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)NCC[N+]1=C(CCCCCCC/C=C/CCCCCCCC)N(CC)CC1.CCOS(=O)(=O)[O-]- InChIKey
AJBCIHJGROETBA-ULQNKYRSSA-N- Molecular formula
- C42H80N3O.C2H5O4S
- Average molar mass
- 768.2 g/mol
- Monoisotopic mass
- 767.62099399
Names & identifiers
- Preferred name
- 1H-Imidazolium, 1-ethyl-2-(8-heptadecen-1-yl)-4,5-dihydro-3-[2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethyl]-, ethyl sulfate (1:1)
- IUPAC
- (E)-N-[2-[3-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadec-9-enamide;ethyl sulfate
Names & synonyms
EINECS 268-166-968016-01-31-(2-Oleamidoethyl)-2-(8-heptadecenyl)-3-ethylimidazolinium, ethosulfate1H-Imidazolium, 1-ethyl-2-(8-heptadecen-1-yl)-4,5-dihydro-3-(2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)ethyl)-, ethyl sulfate (1:1)1H-Imidazolium, 1-ethyl-2-(8-heptadecen-1-yl)-4,5-dihydro-3-[2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethyl]-, ethyl sulfate (1:1)RefChem:798201H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-(2-(((9Z)-1-oxo-9-octadecenyl)amino)ethyl)-, ethyl sulfateSCHEMBL1373248DTXSID0070990(Z,)-1-Ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-(2-((1-oxo-9-octadecenyl)amino)ethyl)-1H-imidazolium ethyl sulphate1-Ethyl-2-(heptadec-8-en-1-yl)-3-[2-(octadec-9-enamido)ethyl]-4,5-dihydro-1H-imidazol-3-ium ethyl sulfate
Database identifiers
- CAS
68016-01-3- PubChem CID
- 6437201
- EC Number
- 268-166-9
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 35
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 875
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-(8-heptadecenyl)-4,5-dihydro-3-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-, ethyl sulfate, (Z,?)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Imidazolium, 1-ethyl-2-(8-heptadecen-1-yl)-4,5-dihydro-3-[2-[[(9Z)-1-oxo-9-octadecen-1-yl]amino]ethyl]-, ethyl sulfate (1:1): INACTIVE
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Compound notes
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