3,3-dimethoxyindolin-2-one - ≥95% , CAS No.66346-69-8

CAS: 66346-69-8 Cat. No.: D194467 Formula: C₁₀H₁₁NO₃ Peso molecolare: 193.20

QUALITÀ & PUREZZA ≥95%

Synonyms

3,3-Dimethoxyindolin-2-one | A867480 | AS-58915 | 3,3-Dimethoxy-1,3-dihydro-2H-indol-2-one | SCHEMBL7617437 | DTXSID90573172 | 3,3-DIMETHOXY-1H-INDOL-2-ONE | SB64701 | AKOS015998888 | 3,3-dimethoxy-2,3-dihydro-1H-indol-2-one | FYHLRIGARDUGKI-UHFFFAOYSA-N

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifiche

Sinonimi

3,3-Dimethoxyindolin-2-one | A867480 | AS-58915 | 3,3-Dimethoxy-1,3-dihydro-2H-indol-2-one | SCHEMBL7617437 | DTXSID90573172 | 3,3-DIMETHOXY-1H-INDOL-2-ONE | SB64701 | AKOS015998888 | 3,3-dimethoxy-2,3-dihydro-1H-indol-2-one | FYHLRIGARDUGKI-UHFFFAOYSA-N

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

COC1(C2=CC=CC=C2NC1=O)OC

IUPAC Name

3,3-dimethoxy-1H-indol-2-one

InChIKey

FYHLRIGARDUGKI-UHFFFAOYSA-N

INCHI

1S/C10H11NO3/c1-13-10(14-2)7-5-3-4-6-8(7)11-9(10)12/h3-6H,1-2H3,(H,11,12)

Isomeri SMILES

COC1(C2=CC=CC=C2NC1=O)OC

Peso molecolare

193.20

Reaxy-Rn

1458628

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1458628&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Ketals Benzenoids Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Ketal - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 193.200 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.074 Da
• Monoisotopic Mass: 193.074 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 238.000
• 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