methyl 3-indolin-7-ylprop-2-enoate - ≥97% , CAS No.114144-20-6

CAS: 114144-20-6 Cat. No.: M682604 Peso molecular: 203.24 PubChem CID: 13863909

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Propiedades del producto

• ALogP: 2.2

Nombres e identificadores

• Sonrisas canónicas: COC(=O)/C=C/C1=CC=CC2=C1NCC2
• InChIKey: VLYRBJIFQNJHDR-AATRIKPKSA-N
• INCHI: 1S/C12H13NO2/c1-15-11(14)6-5-9-3-2-4-10-7-8-13-12(9)10/h2-6,13H,7-8H2,1H3/b6-5+
• Isómeros SMILES: COC(=O)/C=C/C1=CC=CC2=C1NCC2
• PubChem CID: 13863909
• Peso molecular: 203.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Cinnamic acids and derivatives
      • Subclass Cinnamic acid esters

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Cinnamic acids and derivatives
• Subclass: Cinnamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid esters
• Alternative Parents: Indolines Styrenes Secondary alkylarylamines Fatty acid esters Aralkylamines Methyl esters Enoate esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cinnamic acid ester - Indole or derivatives - Dihydroindole - Styrene - Fatty acid ester - Secondary aliphatic/aromatic amine - Aralkylamine - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic 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