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

CAS: 87-25-2 Cat. No.: E156199 分子式: C₉H₁₁NO₂ 分子量: 165.19 Beilstein Registry Number: 878874 EC番号: 201-735-1

グレード＆純度 ≥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

概要

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

仕様

同義語

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:

仕様と純度

≥99%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥99%(GC)

名前と識別子

パブケム・シド

488180187

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

2

RTECS

DG2448000

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 感度: Light Sensitive
• 屈折率: n20/D 1.564(lit.)
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 138°C(lit.)
• 沸点（°C）: 129-130 °C/9 mmHg(lit.)
• 融点（°C）: 13-15°C(lit.)
• 分子量: 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

よくある質問

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.