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Home > Imidazoles > 38987-17-6
38987-17-6 | 3-(3-hydroxy-4,4,5,5-tetramethyl-1-oxido-imidazol-2-yl)pyridine
CAS No: 38987-17-6 Catalog No: AG00772I MDL No:
Product Description
Catalog Number:
AG00772I
Chemical Name:
3-(3-hydroxy-4,4,5,5-tetramethyl-1-oxido-imidazol-2-yl)pyridine
CAS Number:
38987-17-6
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
IUPAC Name:
3-(1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium-2-yl)pyridine
InChI:
InChI=1S/C12H17N3O2/c1-11(2)12(3,4)15(17)10(14(11)16)9-6-5-7-13-8-9/h5-8,16H,1-4H3
InChI Key:
VMEAHNSYOLLUDZ-UHFFFAOYSA-N
SMILES:
ON1C(=[N+](C(C1(C)C)(C)C)[O-])c1cccnc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| A class of novel nitronyl nitroxide labeling basic and acidic amino acids: synthesis, application for preparing ESR optionally labeling peptides, and bioactivity investigations. | Bioorganic & medicinal chemistry 20080401 |
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