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Reference substances

Reference substances

Currently viewing:
IUPAC name:
1-{2-[(13Z)-docos-13-enamido]ethyl}-2-[(12Z)-henicos-12-en-1-yl]-3-methyl-4,5-dihydro-1H-imidazol-3-ium methyl sulfate

Inventory

EC number:
308-732-5
EC name:
Rape oil, reaction products with diethylenetriamine, di-Me sulfate-quaternized
CAS number:
98219-63-7
CAS number:
98219-63-7
Synonyms
Names:
Identifier:
other: Chemical Name
Fatty acids, rape oil, reaction products with diethylenetriamine, di-Me sulfate-quaternized
Identifier:
other: Alkyl descriptor based chemical name
Imidazolium compounds, 2-(C16-18 satd. and C18-24-unsatd.)-alkyl-1-(2-(C16-18 satd. and C18-24-unsatd.) amidoethyl)-4,5-dihydro-N-methyl, Me sulfates
Rape oil, reaction products with diethylenetriamine, di-Me sulfate-quaternized

Molecular and structural information

Molecular formula:
C50H97N3O5S1 (Fatty amides C44:2- representative)
Molecular weight:
ca. 710.12 - ca. 852.41
SMILES notation:
CCCCCCCCC=CCCCCCCCCCCCC1N(CCNC(=O)CCCCCCCCCCCC=CCCCCCCCC)CC[N+]=1(C).[O-]S(=O)(=O)OC (Fatty amides C44:2- representative)
InChl:
InChI=1S/C49H93N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-48(53)50-44-45-52-47-46-51(3)49(52)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-47H2,1-3H3;1H3,(H,2,3,4) (Fatty amides C44:2- representative)
Structural formula:
Chemical structure

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