Antranilato di etile - ≥99%(GC) , CAS No.87-25-2

CAS: 87-25-2 Cat. No.: E156199 Formula: C₉H₁₁NO₂ Peso molecolare: 165.19 Beilstein Registry Number: 878874 Numero EC: 201-735-1

QUALITÀ & PUREZZA ≥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

Normale

Panoramica

L'etil 2-aminobenzoato (etil-antranilato) è un componente minore dei vini Pinot nero di Borgogna ed è identificato mediante analisi GC-MS accoppiata.

Specifiche

Sinonimi

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:

Specifiche e purezza

≥99%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥99%(GC)

Nomi e identificatori

Pubchem Sid

488180187

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

2

RTECS

DG2448000

Peso molecolare

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
    • 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
• Descrizione: 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

Obiettivi associati (umani)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: HSD17B10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Aspergillus niger (16508 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Bacillus subtilis (32866 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Candida albicans (78123 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Thrips tabaci (33 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light Sensitive
• Indice di rifrazione: n20/D 1.564(lit.)
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 138°C(lit.)
• Punto di ebollizione (°C): 129-130 °C/9 mmHg(lit.)
• Punto di fusione (°C): 13-15°C(lit.)
• Peso molecolare: 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

Domande frequenti

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.