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3-Hydroxy-2'-methoxy-2-naphthanilide - >98.0%(HPLC), high purity , CAS No.135-62-6
Basic Description
Synonyms
NAPHTHOL OL | NAPTHOL ASOL | Tox21_301992 | 2-(3-Hydroxy-2-naphthamido)anisole | BLUE BASE BB | EINECS 205-206-6 | Naphthol AS-DL | Tulathol AS-OL | 3-Hydroxy-2'-methoxy-2-naphthanilide | 3-Hydroxy-2-naphthoyl-ortho-anisidide | Azotol OA | C.I. Azoic Coup
Specifications & Purity
≥98%(HPLC)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes
Naphthalenecarboxamides
Direct Parent
Naphthalene-2-carboxanilides
Alternative Parents
Aromatic anilides Naphthols and derivatives Salicylic acid and derivatives Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Naphthalene-2-carboxanilide - Aromatic anilide - 2-naphthol - Salicylic acid or derivatives - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalene-2-carboxanilides. These are naphthalene-2-carboxamides, where the carboxamide group is substituted with an aniline.
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
Pubchem Sid
488183916
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488183916
IUPAC Name
3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
INCHI
InChI=1S/C18H15NO3/c1-22-17-9-5-4-8-15(17)19-18(21)14-10-12-6-2-3-7-13(12)11-16(14)20/h2-11,20H,1H3,(H,19,21)
InChIKey
AQYMRQUYPFCXDM-UHFFFAOYSA-N
Smiles
COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O
Isomeric SMILES
COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O
Molecular Weight
293.32
Reaxy-Rn
1843655
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1843655&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light Sensitive
Melt Point(°C)
162 °C
Molecular Weight
293.300 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
293.105 Da
Monoisotopic Mass
293.105 Da
Topological Polar Surface Area
58.600 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
387.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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