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60875-26-5 | (Z)-2-(8-heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1-methyl-1H-imidazolium methyl sulphate
CAS No: 60875-26-5 Catalog No: AG00F4DB MDL No:
Product Description
Catalog Number:
AG00F4DB
Chemical Name:
(Z)-2-(8-heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1-methyl-1H-imidazolium methyl sulphate
CAS Number:
60875-26-5
IUPAC Name:
2-[2-[(Z)-heptadec-8-enyl]-1-methyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol;methyl sulfate
InChI:
InChI=1S/C23H45N2O.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23,2)21-22-26;1-5-6(2,3)4/h10-11,26H,3-9,12-22H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/b11-10-;
InChI Key:
TUSDSZOJVXFPSY-GMFCBQQYSA-M
EC Number:
262-511-7
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
476.328g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
476.717g/mol
Monoisotopic Mass:
476.328g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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