1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate

Base Information

• Chemical Name: 1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate
• CAS No.: 68016-01-3
• Molecular Formula: C44H85N3O5S
• Molecular Weight: 768.2278
• European Community (EC) Number: 268-166-9
• DSSTox Substance ID: DTXSID0070990
• Mol file: 68016-01-3.mol

Synonyms:EINECS 268-166-9;68016-01-3;1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate;1-(2-Oleamidoethyl)-2-(8-heptadecenyl)-3-ethylimidazolinium, ethosulfate;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);1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-(2-(((9Z)-1-oxo-9-octadecenyl)amino)ethyl)-, ethyl sulfate;C42H80N3O.C2H5O4S;(Z,)-1-Ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-(2-((1-oxo-9-octadecenyl)amino)ethyl)-1H-imidazolium ethyl sulphate;(Z,)-1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium ethyl sulphate;C42-H80-N3-O.C2-H5-O4-S;SCHEMBL1373248;1-(2-Oleamidoethyl)-2-(8-heptadecenyl)-3-ethylimidazulinium, ethosulfate;DTXSID0070990;1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-, (Z,?)-, ethyl sulfate;1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-, ethyl sulfate, (Z,?)-

Chemical Property of 1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, ethyl sulfate

Chemical Property:

• PSA: 113.65000
• LogP: 13.44010
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 35
• Exact Mass: 767.62099399
• Heavy Atom Count: 53
• Complexity: 875

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC1=[N+](CCN1CC)CCNC(=O)CCCCCCCC=CCCCCCCCC.CCOS(=O)(=O)[O-]
• Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCC1=[N+](CCN1CC)CCNC(=O)CCCCCCC/C=C/CCCCCCCC.CCOS(=O)(=O)[O-]

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