Ethyl Anthranilate - ≥99%(GC) , CAS No.87-25-2

CAS: 87-25-2 Cat. No.: E156199 Fórmula: C₉H₁₁NO₂ Peso molecular: 165.19 Beilstein Registry Number: 878874 Número EC: 201-735-1

CALIDAD & PUREZA ≥99%(GC)

Synonyms

2-Aminobenzoic acid ethyl ester | 2-Amino-benzoic acid ethyl ester | Ethyl o-aminobenzoate | F0001-2161 | 2-Carboethoxyaniline | AKOS001276737 | BBL027654 | Ethyl 2-aminobenzoate | AI3-02377 | CAS-87-25-2 | CCRIS 6238 | DTXSID6025272 | SMR001252260 | WLN:

Storage

Room temperature

Shipped In

Normal

Descripción general

Ethyl 2-aminobenzoate (Ethyl anthranilate) is a minor constituent of Burgundy Pinot noir wines and is identified by coupled GC-MS analysis.

Especificaciones

Sinónimos

2-Aminobenzoic acid ethyl ester | 2-Amino-benzoic acid ethyl ester | Ethyl o-aminobenzoate | F0001-2161 | 2-Carboethoxyaniline | AKOS001276737 | BBL027654 | Ethyl 2-aminobenzoate | AI3-02377 | CAS-87-25-2 | CCRIS 6238 | DTXSID6025272 | SMR001252260 | WLN:

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

Pubchem Sid

488180187

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180187

Sonrisas canónicas

CCOC(=O)C1=CC=CC=C1N

IUPAC Name

ethyl 2-aminobenzoate

InChIKey

TWLLPUMZVVGILS-UHFFFAOYSA-N

INCHI

1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3

Isómeros SMILES

CCOC(=O)C1=CC=CC=C1N

WGK Alemania

2

RTECS

DG2448000

Peso molecular

165.19

Beilstein

878874

Reaxy-Rn

878874

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878874&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Aminobenzoic acids and derivatives 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: Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

Objetivos asociados (humanos)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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GMNN Tbio Geminin (128009 Activities)

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Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Aspergillus niger (16508 Activities)

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Bacillus subtilis (32866 Activities)

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Candida albicans (78123 Activities)

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Rattus norvegicus (775804 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Thrips tabaci (33 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive
• Índice de refracción: n20/D 1.564(lit.)
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 138°C(lit.)
• Punto de ebullición (°C): 129-130 °C/9 mmHg(lit.)
• Punto de fusión (°C): 13-15°C(lit.)
• Peso molecular: 165.190 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 87-25-2, the molecular formula is C9H11NO2, and the molecular weight is 165.19 g/mol. InChIKey TWLLPUMZVVGILS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.