1,2-Dimethylindole - ≥99% , CAS No.875-79-6

CAS: 875-79-6 Cat. No.: D103559 Fórmula: C₁₀H₁₁N Peso molecular: 145.2 Beilstein Registry Number: 20313 Número EC: 212-877-9

GRADE & PURITY ≥99%

Synonyms

InChI=1/C10H11N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-7H,1-2H3 | MFCD00005802 | EINECS 212-877-9 | H373TS720O | SCHEMBL154592 | DTXSID00236367 | 1,2-DIMETHYLINDOLE | dimethyl-1H-indole | NSC62087 | NSC-62087 | A842280 | 3-AMINO-2-(3-BROMOBENZYL)PROPIONICACID |

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Application

Building block for preparation of 3-functionalized indoles

Building block for preparation carbazoles

Building block for preparation of cyanoindoles

Reactant for preparation of trifluoromethylindoles

Reactant for preparation of potent antihyperlipidemic agents

Building block in iso-Nazarov or Nazarov cyclizations

Reactant for preparation of GSK-3ß inhibitors

Building block for preparation of carboxyindoles

Reactant for preparation of plant growth promoters

Reactant for preparation of tryptophan derivatives

Specifications

Sinónimos

InChI=1/C10H11N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-7H,1-2H3 | MFCD00005802 | EINECS 212-877-9 | H373TS720O | SCHEMBL154592 | DTXSID00236367 | 1,2-DIMETHYLINDOLE | dimethyl-1H-indole | NSC62087 | NSC-62087 | A842280 | 3-AMINO-2-(3-BROMOBENZYL)PROPIONICACID |

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504752449
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752449
• Sonrisas canónicas: CC1=CC2=CC=CC=C2N1C
• IUPAC Name: 1,2-dimethylindole
• InChIKey: BJMUOUXGBFNLSN-UHFFFAOYSA-N
• INCHI: 1S/C10H11N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-7H,1-2H3
• Isómeros SMILES: CC1=CC2=CC=CC=C2N1C
• WGK Alemania: 3
• Peso molecular: 145.2
• Beilstein: 20313
• Reaxy-Rn: 116351
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116351&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: Indoles N-methylpyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Indole - Benzenoid - Substituted pyrrole - N-methylpyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive,Air Sensitive
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 143°C/30mmHg
• Punto de fusión (°C): 55-58°C
• Peso molecular: 145.200 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 145.089 Da
• Monoisotopic Mass: 145.089 Da
• Topological Polar Surface Area: 4.900 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 875-79-6, the molecular formula is C10H11N, and the molecular weight is 145.2 g/mol. InChIKey BJMUOUXGBFNLSN-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.