4,5-Dihydro-2-((8Z)-heptadecenyl)-1-methyl-1-(2-((9Z)-octadecenoylamino)ethyl)-1H-imidazolium methyl sulfate

Base Information

• Chemical Name: 4,5-Dihydro-2-((8Z)-heptadecenyl)-1-methyl-1-(2-((9Z)-octadecenoylamino)ethyl)-1H-imidazolium methyl sulfate
• CAS No.: 70206-24-5
• Molecular Formula: C42H82N3O5S
• Molecular Weight: 741.18258
• European Community (EC) Number: 274-381-9
• UNII: V011H4CFOX
• DSSTox Substance ID: DTXSID7052448
• Wikidata: Q27291356
• Mol file: 70206-24-5.mol

Synonyms:70206-24-5;UNII-V011H4CFOX;V011H4CFOX;4,5-Dihydro-2-((8Z)-heptadecenyl)-1-methyl-1-(2-((9Z)-octadecenoylamino)ethyl)-1H-imidazolium methyl sulfate;EINECS 274-381-9;2-(8-Heptadecenyl)-4,5-dihydro-1-methyl-1-(2-((1-oxo-oleyl)amino)ethyl)-1H-imidazolium methyl sulfate;QUATERNIUM-72;(Z,Z)-2-(8-Heptadecenyl)-4,5-dihydro-1-methyl-1-(2-((1-oxo-9-octadecenyl)amino)ethyl)-1H-imidazolium methyl sulphate;1H-Imidazolium, 2-(8-heptadecenyl)-4,5-dihydro-1-methyl-1-(2-((1-oxo-9-octadecenyl)amino)ethyl)-, (Z,Z)-, methyl sulfate;(Z,Z)-2-(8-heptadecenyl)-4,5-dihydro-1-methyl-1-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium methyl sulphate;1H-Imidazolium, 2-(8-heptadecenyl)-4,5-dihydro-1-methyl-1-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-, (Z,Z)-, methyl sulfate;1H-Imidazolium, 2-(8Z)-8-heptadecenyl-4,5-dihydro-1-methyl-1-(2-(((9Z)-1-oxo-9-octadecenyl)amino)ethyl)-, methyl sulfate;1H-Imidazolium, 2-(8Z)-8-heptadecenyl-4,5-dihydro-1-methyl-1-[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]-, methyl sulfate;C41H78N3O.CH3O4S;QUATERNIUM 72;(Z, Z)- 2- (8- heptadecenyl)- 4, 5- dihydro- 1- methyl- 1- [2- [(1- oxo- 9- octadecenyl)amino]ethyl]- 1H- imidazolium methyl sulphate;1H-Imidazolium, 2-(8-heptadecenyl)-4,5-dihydro- 1-methyl-1-[2-[(1-oxo-9-octadecenyl)amino]ethyl ]-, (Z,Z)-, methyl sulfate;C41-H78-N3-O.C-H3-O4-S;MACKERNIUM DC 183;SCHEMBL7926362;DTXSID7052448;Q27291356;1H-IMIDAZOLIUM, 2-(8Z)-8-HEPTADECEN-1-YL-4,5-DIHYDRO-1-METHYL-1-(2-(((9Z)-1-OXO-9-OCTADECEN-1-YL)AMINO)ETHYL)-, METHYL SULFATE (1:1);2-(8-HEPTADECENYL)-4,5-DIHYDRO-1-METHYL-1-(2-((1-OXO-9-OCTADECENYL)AMINO)ETHYL)-1H-IMIDAZOLIUM METHYL SULFATE, (Z,Z)-;2-[(8Z)-Heptadec-8-en-1-yl]-1-methyl-1-{2-[(9Z)-octadec-9-enoylamino]ethyl}-4,5-dihydro-1H-imidazol-1-ium methyl sulfate

Chemical Property of 4,5-Dihydro-2-((8Z)-heptadecenyl)-1-methyl-1-(2-((9Z)-octadecenoylamino)ethyl)-1H-imidazolium methyl sulfate

Chemical Property:

• PSA: 119.76000
• LogP: 12.65990
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 33
• Exact Mass: 739.58969387
• Heavy Atom Count: 51
• Complexity: 849

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC1=NCC[N+]1(C)CCNC(=O)CCCCCCCC=CCCCCCCCC.COS(=O)(=O)[O-]
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC1=NCC[N+]1(C)CCNC(=O)CCCCCCC/C=C\CCCCCCCC.COS(=O)(=O)[O-]