200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 68140-93-2
68140-93-2 | 2-[3-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol; sulfonatooxyethane
CAS No: 68140-93-2 Catalog No: AG005ZTA MDL No:
Product Description
Catalog Number:
AG005ZTA
Chemical Name:
2-[3-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol; sulfonatooxyethane
CAS Number:
68140-93-2
Molecular Formula:
C26H53N2O5S-
Molecular Weight:
505.7744
IUPAC Name:
2-(3-ethyl-2-heptadec-8-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/h11-12,27H,3-10,13-23H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChI Key:
FKWUKIQLDIORHQ-UHFFFAOYSA-M
SMILES:
CCOS(=O)(=O)[O-].CCCCCCCC/C=C/CCCCCCCC1N(CC)CCN1CCO
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.