2,3-dimetilindolo - ≥97% , CAS No.91-55-4

CAS: 91-55-4 Cat. No.: D103560 Formula: C₁₀H₁₁N Peso molecolare: 145.2 Beilstein Registry Number: 20319 Numero EC: 202-076-2

GRADE & PURITY ≥97%

Synonyms

NSC 24936 | DTXSID6059027 | INDOLE, 2,3-DIMETHYL- | STL377851 | D-5350 | F2190-0646 | HMS1648J03 | F12404 | FT-0609715 | SY048829 | UNII-TFW7O9HWZK | Q27289944 | Z56867202 | D1579 | 2,3-Dimethylindole | 2,3-Dimethylindole, >=97% | AMY23189 | NCGC00331571-

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normale

Panoramica

il 2,3-dimetilindolo è stato utilizzato per studiare il meccanismo di ossidazione del 2,3-dimetilindolo da parte degli anioni perossodisolfato e perossomonosolfato a 2-metilindolo-2-carbaldeide

Specifications

Sinonimi

NSC 24936 | DTXSID6059027 | INDOLE, 2,3-DIMETHYL- | STL377851 | D-5350 | F2190-0646 | HMS1648J03 | F12404 | FT-0609715 | SY048829 | UNII-TFW7O9HWZK | Q27289944 | Z56867202 | D1579 | 2,3-Dimethylindole | 2,3-Dimethylindole, >=97% | AMY23189 | NCGC00331571-

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Protected from light,Argon charged,Room temperature

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488180264
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180264
• Sorrisi canonici: CC1=C(NC2=CC=CC=C12)C
• IUPAC Name: 2,3-dimethyl-1H-indole
• InChIKey: PYFVEIDRTLBMHG-UHFFFAOYSA-N
• INCHI: 1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3
• Isomeri SMILES: CC1=C(NC2=CC=CC=C12)C
• WGK Germania: 3
• RTECS: NL7185000
• Peso molecolare: 145.2
• Beilstein: 20319
• Reaxy-Rn: 116662
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116662&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles
        • Level5 3-alkylindoles
          • Level6 3-methylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: 3-alkylindoles
• Direct Parent: 3-methylindoles
• Alternative Parents: Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-methylindole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group.
• 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

Obiettivi associati (umani)

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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

Obiettivi associati (non umani)

Mus musculus (284745 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light Sensitive,Air Sensitive
• Punto di ebollizione (°C): 285°C
• Punto di fusione (°C): 105-107°C
• Peso molecolare: 145.200 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 145.089 Da
• Monoisotopic Mass: 145.089 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 144.000
• 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

Riferimenti

1. Zhengyu Wang, Yufeng Hu, Zhiduo Ding, Hao Zhou, Jianye Zhang, Jingjing Zhan, Minghuo Wu.  (2023)  Determination of Organic Nitrogen Compounds in Gasoline by Water-Assisted Dispersive Solid-Phase Extraction (DSPE) and High-Performance Liquid Chromatography-High-Resolution Mass Spectrometry (HPLC-HRMS).  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2022.2101059]