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Salicylamidoxime - Reagent Grade, high purity , CAS No.6005-58-9
Basic Description
Synonyms
2,n-dihydroxy-benzamidine | 2-Hydroxybenzamidoxime | (6Z)-6-[Amino(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one | N',2-Dihydroxybenzenecarboximidamide | A832586 | A923218 | n',2-dihydroxybenzene-1-carboximidamide | N',2-dihydroxybenzamidine | N',2-Di
Specifications & Purity
Reagent grade
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
1-hydroxy-4-unsubstituted benzenoids
Intermediate Tree Nodes
Not available
Direct Parent
1-hydroxy-4-unsubstituted benzenoids
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Amidoximes Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Amidoxime - Amidine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N',2-dihydroxybenzenecarboximidamide
INCHI
InChI=1S/C7H8N2O2/c8-7(9-11)5-3-1-2-4-6(5)10/h1-4,10-11H,(H2,8,9)
InChIKey
DVAPQSJNIZTABV-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C(=NO)N)O
Isomeric SMILES
C1=CC=C(C(=C1)/C(=N/O)/N)O
PubChem CID
135683605
Molecular Weight
152.15
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
152.150 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
152.059 Da
Monoisotopic Mass
152.059 Da
Topological Polar Surface Area
78.800 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
159.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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