GRADE & PURITY ≥98%

Synonyms

AS-12995 | Z1198174784 | D2266 | 7-trifluoromethylindoline-2,3-dione | FT-0647421 | 4-(2-Hydroxyethyl)-2-indolinone | Q27265735 | EN300-7375562 | Oprea1_177774 | SCHEMBL154311 | 4-(2-hydroxyethyl)oxindole | 4-(2-hydroxyethyl)-oxindole | M-ISOPROPENYLCUMYL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-12995 | Z1198174784 | D2266 | 7-trifluoromethylindoline-2, 3-dione | FT-0647421 | 4-(2-Hydroxyethyl)-2-indolinone | Q27265735 | EN300-7375562 | Oprea1_177774 | SCHEMBL154311 | 4-(2-hydroxyethyl)oxindole | 4-(2-hydroxyethyl)-oxindole | M-ISOPROPENYLCUMYL

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196958
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196958
• Sonrisas canónicas: C1C2=C(C=CC=C2NC1=O)CCO
• IUPAC Name: 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one
• InChIKey: QRTHVOUKWCEPKJ-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO2/c12-5-4-7-2-1-3-9-8(7)6-10(13)11-9/h1-3,12H,4-6H2,(H,11,13)
• Isómeros SMILES: C1C2=C(C=CC=C2NC1=O)CCO
• Peso molecular: 177.2
• Reaxy-Rn: 7371060
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7371060&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Benzenoids Secondary carboxylic acid amides Lactams Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

• Punto de fusión (°C): 151-155℃
• Peso molecular: 177.200 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.079 Da
• Monoisotopic Mass: 177.079 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 205.000
• 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