Ethyl indoline-6-carboxylate - ≥97% , CAS No.350683-40-8

CAS: 350683-40-8 Cat. No.: E192914 Fórmula: C₁₁H₁₃NO₂ Peso molecular: 191.23

CALIDAD & PUREZA ≥97%

Synonyms

DTXSID10652938 | Ethyl indoline-6-carboxylate | EN300-713864 | SB66106 | 2,3-dihydro-1h-indole-6-carboxylic acid ethyl ester | AKOS006312266 | ethyl 2,3-dihydro-1H-indole-6-carboxylate | 1h-indole-6-carboxylic acid,2,3-dihydro-,ethyl ester | Ethylindoline

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Especificaciones

Sinónimos

DTXSID10652938 | Ethyl indoline-6-carboxylate | EN300-713864 | SB66106 | 2,3-dihydro-1h-indole-6-carboxylic acid ethyl ester | AKOS006312266 | ethyl 2,3-dihydro-1H-indole-6-carboxylate | 1h-indole-6-carboxylic acid,2,3-dihydro-,ethyl ester | Ethylindoline

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

CCOC(=O)C1=CC2=C(CCN2)C=C1

IUPAC Name

ethyl 2,3-dihydro-1H-indole-6-carboxylate

InChIKey

WFXBELNNLRIRRD-UHFFFAOYSA-N

INCHI

1S/C11H13NO2/c1-2-14-11(13)9-4-3-8-5-6-12-10(8)7-9/h3-4,7,12H,2,5-6H2,1H3

Isómeros SMILES

CCOC(=O)C1=CC2=C(CCN2)C=C1

Peso molecular

191.23

Reaxy-Rn

8979408

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8979408&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids
• Alternative Parents: Indolines Secondary alkylarylamines Aralkylamines Benzenoids Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid - Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
• 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: light sensitive; Moisture sensitive
• Peso molecular: 191.230 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 191.095 Da
• Monoisotopic Mass: 191.095 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 217.000
• 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