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

CAS: 19155-24-9 Cat. No.: D182406 分子式: C₁₀H₁₁NO 分子量: 161.2 EC番号: 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

同義語

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

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488189441

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488189441

カノニカル・スマイル

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)

異性体SMILES

CC1(C2=CC=CC=C2NC1=O)C

分子量

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
    • 分類 Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 分子量: 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

よくある質問

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.