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

CAS: 350683-40-8 Cat. No.: E192914 Summenformel: C₁₁H₁₃NO₂ Molekulargewicht: 191.23

GRADE & PURITY ≥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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: CCOC(=O)C1=CC2=C(CCN2)C=C1
• Molekulargewicht: 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
    • Klasse Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive; Moisture sensitive
• Molekulargewicht: 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