3,3-Dimethylindolin-2-one - ≥97% , CAS No.19155-24-9

CAS: 19155-24-9 Cat. No.: D182406 Summenformel: C₁₀H₁₁NO Molekulargewicht: 161.2 EG-Nummer: 801-797-5

GRADE & PURITY ≥97%

Synonyms

2H-Indol-2-one,3-dihydro-3,3-dimethyl- | 1,2-DIHYDRO-3,3-DIMETHYL-2-OXO-3H-INDOLE | 3,3-DIMETHYLINDOL-2(3H)-ONE | 2H-Indol-2-one, 1,3-dihydro-3,3-dimethyl- | 2-Indolinone,3-dimethyl- | 3,3-dimethyl-1H-indol-2-one | 3,3-dimethyl-indol-2-one | 3,3-dimethyli

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2H-Indol-2-one,3-dihydro-3,3-dimethyl- | 1,2-DIHYDRO-3,3-DIMETHYL-2-OXO-3H-INDOLE | 3,3-DIMETHYLINDOL-2(3H)-ONE | 2H-Indol-2-one, 1,3-dihydro-3,3-dimethyl- | 2-Indolinone,3-dimethyl- | 3,3-dimethyl-1H-indol-2-one | 3,3-dimethyl-indol-2-one | 3,3-dimethyli

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488189441
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189441
• Kanonisches Lächeln: CC1(C2=CC=CC=C2NC1=O)C
• IUPAC Name: 3,3-dimethyl-1H-indol-2-one
• InChIKey: KEZHRKOVLKUYCQ-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO/c1-10(2)7-5-3-4-6-8(7)11-9(10)12/h3-6H,1-2H3,(H,11,12)
• Isomere SMILES: CC1(C2=CC=CC=C2NC1=O)C
• Molekulargewicht: 161.2
• Reaxy-Rn: 123628
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123628&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: 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 - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

Discover Target: ROCK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDK2 Tchem Pyruvate dehydrogenase kinase isoform 2 (894 Activities)

Discover Target: PDK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDK4 Tchem Pyruvate dehydrogenase kinase isoform 4 (177 Activities)

Discover Target: PDK4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 161.200 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.084 Da
• Monoisotopic Mass: 161.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 210.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 19155-24-9, the molecular formula is C10H11NO, and the molecular weight is 161.2 g/mol. InChIKey KEZHRKOVLKUYCQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.