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Home > Imidazoles > 874200-91-6
874200-91-6 | 1H-Imidazolium, 1-ethyl-3-methyl-, 1-butanesulfonate
CAS No: 874200-91-6 Catalog No: AG004J9W MDL No:
Product Description
Catalog Number:
AG004J9W
Chemical Name:
1H-Imidazolium, 1-ethyl-3-methyl-, 1-butanesulfonate
CAS Number:
874200-91-6
Molecular Formula:
C10H22N2O3S
Molecular Weight:
250.3583
IUPAC Name:
butane-1-sulfonate;1-ethyl-3-methyl-1,2-dihydroimidazol-1-ium
InChI:
InChI=1S/C6H12N2.C4H10O3S/c1-3-8-5-4-7(2)6-8;1-2-3-4-8(5,6)7/h4-5H,3,6H2,1-2H3;2-4H2,1H3,(H,5,6,7)
InChI Key:
GNQCYMKZGLWVTC-UHFFFAOYSA-N
SMILES:
CC[NH+]1C=CN(C1)C.CCCCS(=O)(=O)[O-]
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.135g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.357g/mol
Monoisotopic Mass:
250.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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