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Home > Imidazoles > 262297-13-2
262297-13-2 | 1H-Imidazolium, 3-butyl-1-methyl-, sulfate (1:1)
CAS No: 262297-13-2 Catalog No: AG002SD3 MDL No:MFCD06798197
Product Description
Catalog Number:
AG002SD3
Chemical Name:
1H-Imidazolium, 3-butyl-1-methyl-, sulfate (1:1)
CAS Number:
262297-13-2
Molecular Formula:
C8H18N2O4S
Molecular Weight:
238.3045
MDL Number:
MFCD06798197
IUPAC Name:
1-butyl-3-methylimidazol-3-ium;hydrogen sulfate
InChI:
InChI=1S/C8H15N2.H2O4S/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-8H,3-5H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
KXCVJPJCRAEILX-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.CCCCN1C=C[NH+](C1)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.286g/mol
Monoisotopic Mass:
236.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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