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Phenyl anthranilate - 95%, high purity , CAS No.10268-69-6
Basic Description
Synonyms
DTXSID50145450 | SCHEMBL444509 | Benzoic acid, 2-amino-, phenyl ester | Phenyl 2-aminobenzoate | Phenyl anthranilate | 2-Aminobenzoic acid phenyl ester | MFCD00060603 | Phenyl 2-aminobenzoate # | Benzoic acid,2-amino-,phenyl ester | T71535 | Phenyl o-amin
Specifications & Purity
≥95%
Storage Temp
Room temperature,Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Depsides and depsidones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Depsides and depsidones
Alternative Parents
Phenol esters Benzoic acid esters Aminobenzoic acids and derivatives Phenoxy compounds Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Depside backbone - Aminobenzoic acid or derivatives - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Amine - Organic oxide - Primary amine - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
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.
Names and Identifiers
Pubchem Sid
488183770
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488183770
IUPAC Name
phenyl 2-aminobenzoate
INCHI
InChI=1S/C13H11NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H,14H2
InChIKey
ZBFSYQBEXZGTAX-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2N
Isomeric SMILES
C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2N
PubChem CID
66300
Molecular Weight
213.24
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air sensitive
Melt Point(°C)
70° C
Molecular Weight
213.230 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
213.079 Da
Monoisotopic Mass
213.079 Da
Topological Polar Surface Area
52.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
236.000
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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B23221174