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Home > Imidazoles > 468095-88-7
468095-88-7 | 1H-Imidazole, 1-ethyl-, sulfate (1:1)
CAS No: 468095-88-7 Catalog No: AG0071ZG MDL No:
Product Description
Catalog Number:
AG0071ZG
Chemical Name:
1H-Imidazole, 1-ethyl-, sulfate (1:1)
CAS Number:
468095-88-7
Molecular Formula:
C5H10N2O4S
Molecular Weight:
194.2089
IUPAC Name:
1-ethylimidazole;sulfuric acid
InChI:
InChI=1S/C5H8N2.H2O4S/c1-2-7-4-3-6-5-7;1-5(2,3)4/h3-5H,2H2,1H3;(H2,1,2,3,4)
InChI Key:
JMVUBVFMLWTPDW-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CCn1cncc1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.205g/mol
Monoisotopic Mass:
194.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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