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Home > Imidazoles > 920537-20-8
920537-20-8 | 1H-Imidazolium, 1-methyl-3-(4-sulfobutyl)-, phosphate (1:1)
CAS No: 920537-20-8 Catalog No: AG0060ID MDL No:
Product Description
Catalog Number:
AG0060ID
Chemical Name:
1H-Imidazolium, 1-methyl-3-(4-sulfobutyl)-, phosphate (1:1)
CAS Number:
920537-20-8
Molecular Formula:
C8H19N2O7PS
Molecular Weight:
318.2844
IUPAC Name:
dihydrogen phosphate;4-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)butane-1-sulfonic acid
InChI:
InChI=1S/C8H16N2O3S.H3O4P/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13;1-5(2,3)4/h5-6H,2-4,7-8H2,1H3,(H,11,12,13);(H3,1,2,3,4)
InChI Key:
XHXCHGWUEXUZEX-UHFFFAOYSA-N
SMILES:
[O-]P(=O)(O)O.C[NH+]1C=CN(C1)CCCCS(=O)(=O)O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.065g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
318.281g/mol
Monoisotopic Mass:
318.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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