1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxoeicosyl)amino)ethyl)-1-ethyl-4,5-dihydro-2-nonadecyl-, ethyl sulfate

Base Information

• Chemical Name: 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxoeicosyl)amino)ethyl)-1-ethyl-4,5-dihydro-2-nonadecyl-, ethyl sulfate
• CAS No.: 67874-22-0
• Molecular Formula: C51H100N4O5S
• Molecular Weight: 882.43644
• European Community (EC) Number: 267-459-9
• DSSTox Substance ID: DTXSID80987229
• Mol file: 67874-22-0.mol

Synonyms:EINECS 267-459-9;67874-22-0;1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxoeicosyl)amino)ethyl)-1-ethyl-4,5-dihydro-2-nonadecyl-, ethyl sulfate;1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxoeicosyl)amino)ethyl)-1-ethyl-4,5-dihydro-2-nonadecyl-, ethyl sulfate (1:1);1H-Imidazolium, 1-[2-[(2-cyanoethyl)(1-oxoeicosyl)amino]ethyl]-1-ethyl-4,5-dihydro-2-nonadecyl-, ethyl sulfate;1-(2-((2-Cyanoethyl)(1-oxoicosyl)amino)ethyl)-1-ethyl-4,5-dihydro-2-nonadecyl-1H-imidazolium ethyl sulphate;1-[2-[(2-cyanoethyl)(1-oxoicosyl)amino]ethyl]-1-ethyl-4,5-dihydro-2-nonadecyl-1H-imidazolium ethyl sulphate;DTXSID80987229;C49H95N4O.C2H5O4S;C49-H95-N4-O.C2-H5-O4-S;1-{2-[(2-Cyanoethyl)(icosanoyl)amino]ethyl}-1-ethyl-2-nonadecyl-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate

Chemical Property of 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxoeicosyl)amino)ethyl)-1-ethyl-4,5-dihydro-2-nonadecyl-, ethyl sulfate

Chemical Property:

• PSA: 131.27000
• LogP: 15.01920
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 43
• Exact Mass: 880.74144348
• Heavy Atom Count: 61
• Complexity: 1010

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]