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Home > Imidazoles > 790663-79-5
790663-79-5 | 1H-Imidazolium, 1-ethyl-3-methyl-, octyl sulfate
CAS No: 790663-79-5 Catalog No: AG005CCD MDL No:
Product Description
Catalog Number:
AG005CCD
Chemical Name:
1H-Imidazolium, 1-ethyl-3-methyl-, octyl sulfate
CAS Number:
790663-79-5
Molecular Formula:
C14H28N2O4S
Molecular Weight:
320.4481
IUPAC Name:
1-ethyl-3-methylimidazol-3-ium;octyl sulfate
InChI:
InChI=1S/C8H18O4S.C6H11N2/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-3-8-5-4-7(2)6-8/h2-8H2,1H3,(H,9,10,11);4-6H,3H2,1-2H3/q;+1/p-1
InChI Key:
DAFDIILBFQKIIA-UHFFFAOYSA-M
SMILES:
CC[n+]1ccn(c1)C.CCCCCCCCOS(=O)(=O)[O-]
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.177g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.448g/mol
Monoisotopic Mass:
320.177g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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