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130974-86-6 | Guanidine, N-(4-chlorophenyl)-N'-hydroxy-
CAS No: 130974-86-6 Catalog No: AG000V6V MDL No:
Product Description
Catalog Number:
AG000V6V
Chemical Name:
Guanidine, N-(4-chlorophenyl)-N'-hydroxy-
CAS Number:
130974-86-6
Molecular Formula:
C7H8ClN3O
Molecular Weight:
185.6109
IUPAC Name:
2-(4-chlorophenyl)-1-hydroxyguanidine
InChI:
InChI=1S/C7H8ClN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h1-4,12H,(H3,9,10,11)
InChI Key:
JYBXKTLYOMPMQY-UHFFFAOYSA-N
SMILES:
ONC(=N)Nc1ccc(cc1)Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.611g/mol
Monoisotopic Mass:
185.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Microperoxidase 8 catalysed nitrogen oxides formation from oxidation of N-hydroxyguanidines by hydrogen peroxide. | European journal of biochemistry 20030101 |
| Electrochemical and peroxidase oxidation study of N'-hydroxyguanidine derivatives as NO donors. | Bioorganic & medicinal chemistry letters 20020603 |
| N-Aryl N'-hydroxyguanidines, a new class of NO-donors after selective oxidation by nitric oxide synthases: structure-activity relationship. | Journal of medicinal chemistry 20020214 |
| Oxidation of N(omega)-hydroxyarginine analogues by NO-synthase: the simple, non amino acid N-butyl N'-hydroxyguanidine is almost as efficient an NO precursor as N(omega)-hydroxyarginine. | Journal of medicinal chemistry 20010927 |
| Oxidations of N(omega)-hydroxyarginine analogues and various N-hydroxyguanidines by NO synthase II: key role of tetrahydrobiopterin in the reaction mechanism and substrate selectivity. | Chemical research in toxicology 20010201 |
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