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497258-79-4 | 1H-Imidazolium, 1-butyl-3-methyl-, sulfate (2:1)
CAS No: 497258-79-4 Catalog No: AG006YAX MDL No:
Product Description
Catalog Number:
AG006YAX
Chemical Name:
1H-Imidazolium, 1-butyl-3-methyl-, sulfate (2:1)
CAS Number:
497258-79-4
Molecular Formula:
C16H34N4O4S
Molecular Weight:
378.5306
IUPAC Name:
1-butyl-3-methyl-1,2-dihydroimidazol-1-ium;sulfate
InChI:
InChI=1S/2C8H16N2.H2O4S/c2*1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h2*6-7H,3-5,8H2,1-2H3;(H2,1,2,3,4)
InChI Key:
GCDKGLAVNDJKJU-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)[O-].CCCC[NH+]1C=CN(C1)C.CCCC[NH+]1C=CN(C1)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.23g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.532g/mol
Monoisotopic Mass:
378.23g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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