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Home > Imidazoles > 68938-60-3
68938-60-3 | 2-[3-ethyl-2-[(E)-heptadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol; sulfonatooxyethane
CAS No: 68938-60-3 Catalog No: AG005N50 MDL No:
Product Description
Catalog Number:
AG005N50
Chemical Name:
2-[3-ethyl-2-[(E)-heptadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol; sulfonatooxyethane
CAS Number:
68938-60-3
Molecular Formula:
C26H53N2O5S-
Molecular Weight:
505.7744
IUPAC Name:
2-[3-ethyl-2-[(E)-heptadec-2-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol;ethyl sulfate
InChI:
InChI=1S/C24H47N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h17-18,27H,3-16,19-23H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1/b18-17+;
InChI Key:
HZNPEZZQXFHJRR-ZAGWXBKKSA-M
SMILES:
CCOS(=O)(=O)[O-].CCCCCCCCCCCCCC/C=C/CC1N(CC)CCN1CCO
EC Number:
273-132-1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
504.36g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
504.771g/mol
Monoisotopic Mass:
504.36g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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