butyl anthranilate - ≥98%(GC) , CAS No.7756-96-9

CAS: 7756-96-9 Cat. No.: B136879 Fórmula: 2-(H₂N)C₆H₄CO₂(CH₂)₃CH₃ Peso molecular: 193.24 Beilstein Registry Number: 14(2)209 Número CE: 231-816-7

GRADE & PURITY ≥98%(GC)

Synonyms

AS-57629 | FEMA 2181 | 2-Aminobenzoic acid, butyl ester | NCGC00091623-02 | EINECS 231-816-7 | Anthranilic Acid Butyl Ester | Anthranilic acid, butyl ester (6CI,7CI,8CI) | BUTYL ANTHRANILATE | FEMA No. 2181 | FT-0622415 | AI3-03442 | CHEBI:86192 | AC-1171

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Sinónimos

AS-57629 | FEMA 2181 | 2-Aminobenzoic acid, butyl ester | NCGC00091623-02 | EINECS 231-816-7 | Anthranilic Acid Butyl Ester | Anthranilic acid, butyl ester (6CI,7CI,8CI) | BUTYL ANTHRANILATE | FEMA No. 2181 | FT-0622415 | AI3-03442 | CHEBI:86192 | AC-1171

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature,Argon charged,Cool

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488182884
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182884
• Sorrisos canónicos: CCCCOC(=O)C1=CC=CC=C1N
• IUPAC Name: butyl 2-aminobenzoate
• InChIKey: HUIYGGQINIVDNW-UHFFFAOYSA-N
• INCHI: 1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3
• SMILES isoméricas: CCCCOC(=O)C1=CC=CC=C1N
• WGK Alemanha: 2
• RTECS: DG1527000
• Peso molecular: 193.24
• Beilstein: 14(2)209
• Reaxy-Rn: 388241
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=388241&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: substituted aniline - benzoate ester

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

Alvos associados (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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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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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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Alvos associados (não humanos)

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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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Air-sensitive
• Índice de refração: 1.55
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 303 °C
• Peso molecular: 193.240 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 193.11 Da
• Monoisotopic Mass: 193.11 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 182.000
• 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

Perguntas frequentes

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

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 7756-96-9, the molecular formula is C11H15NO2, and the molecular weight is 193.24 g/mol. InChIKey HUIYGGQINIVDNW-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.