Phenyl anthranilate - ≥95% , CAS No.10268-69-6

CAS: 10268-69-6 Cat. No.: P345177 Peso molecular: 213.24 Número EC: 233-608-1 PubChem CID: 66300

GRADE & PURITY ≥95%

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

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488183770
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183770
• Sonrisas canónicas: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2N
• IUPAC Name: phenyl 2-aminobenzoate
• InChIKey: ZBFSYQBEXZGTAX-UHFFFAOYSA-N
• INCHI: 1S/C13H11NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H,14H2
• Isómeros SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2N
• PubChem CID: 66300
• Peso molecular: 213.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Depsides and depsidones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de fusión (°C): 70° C
• Peso molecular: 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