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Home > Imidazoles > 25141-05-3
25141-05-3 | 1H-Imidazolium, 1-ethyl-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-, ethyl sulfate (1:1)
CAS No: 25141-05-3 Catalog No: AG002QLW MDL No:
Product Description
Catalog Number:
AG002QLW
Chemical Name:
1H-Imidazolium, 1-ethyl-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-, ethyl sulfate (1:1)
CAS Number:
25141-05-3
Molecular Formula:
C26H54N2O5S
Molecular Weight:
506.7824
IUPAC Name:
2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol;ethyl sulfate
InChI:
InChI=1S/C24H49N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25-20-21-26(24,4-2)22-23-27;1-2-6-7(3,4)5/h27H,3-23H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
KPDCZDUZLORUDD-UHFFFAOYSA-M
SMILES:
CCOS(=O)(=O)[O-].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCO
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.375g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
506.787g/mol
Monoisotopic Mass:
506.375g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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