1,2-ジメチルインドール - ≥99% , CAS No.875-79-6

CAS: 875-79-6 Cat. No.: D103559 分子式: C₁₀H₁₁N 分子量: 145.2 Beilstein Registry Number: 20313 EC番号: 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

ノーマル

概要

応用例

3官能化インドール調製用ビルディングブロック

カルバゾール調製用ブロック

シアノインドール調製用ビルディングブロック

トリフルオロメチルインドール調製用反応剤

強力な抗高脂血症剤調製のための反応剤

イソ-ナザロフまたはナザロフ環化反応のビルディングブロック

GSK-3β阻害剤調製のための反応剤

カルボキシインドール調製用ビルディングブロック

植物成長促進剤調製用反応剤

トリプトファン誘導体調製用反応剤

Specifications

同義語

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 |

仕様と純度

≥99%

保管条件

Argon charged,Room temperature

入荷

ノーマル

純度

≥99%

名前と識別子

パブケム・シド

504752449

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752449

カノニカル・スマイル

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

異性体SMILES

CC1=CC2=CC=CC=C2N1C

WGKドイツ

3

分子量

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
    • 分類 Indoles and derivatives
      • Subclass N-alkylindoles

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

作用メカニズム

化学的性質と物理的性質

• 感度: Light Sensitive,Air Sensitive
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 143°C/30mmHg
• 融点（°C）: 55-58°C
• 分子量: 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

よくある質問

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.