5-Methoxygramine - ≥99% , CAS No.16620-52-3

CAS: 16620-52-3 Cat. No.: M167774 分子式: C₁₂H₁₆N₂O 分子量: 204.27 Beilstein Registry Number: 170533 EC番号: 240-669-8

GRADE & PURITY ≥99%

Synonyms

2-Dimethylaminomethyl-5-methoxyindole | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine | 1-(5-Methoxy-1h-Indol-3-Yl)-N,N-Dimethyl-Methanamine | Indole, 3-[(dimethylamino)methyl]-5-methoxy- | AS-76881 | SR-01000003310-1 | 5-methoxy gramine | SDCCGMLS-

Storage

Room temperature

Shipped In

Normal

概要

Application

Reactant for preparation of dopamine D2 receptor antagonists

Reactant for asymmetric preparation of ethenyl(tetrahydro)carbazoledicarboxylates via gold(I)-catalyzed intramolecular Friedel-Crafts allylic alkylation reaction

Reactant for preparation of N-substituted 3-aryl-8-azabicyclo[3.2.1]octan-3-ols as dopamine D2-like receptor ligands

Reactant for preparation of substituted N-trimethoxybenzoyl indoles, indolines, and a tetrahydroquinoline via N-aroylation with trimethoxybenzoyl chloride or anhydride as antitubulin agents

Reactant for preparation of indolylmethanesulfonamide and its methoxy derivatives

Specifications

同義語

2-Dimethylaminomethyl-5-methoxyindole | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine | 1-(5-Methoxy-1h-Indol-3-Yl)-N,N-Dimethyl-Methanamine | Indole, 3-[(dimethylamino)methyl]-5-methoxy- | AS-76881 | SR-01000003310-1 | 5-methoxy gramine | SDCCGMLS-

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

488183067

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488183067

カノニカル・スマイル

CN(C)CC1=CNC2=C1C=C(C=C2)OC

IUPAC Name

1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine

InChIKey

GOERTRUXQHDLHC-UHFFFAOYSA-N

INCHI

1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3

異性体SMILES

CN(C)CC1=CNC2=C1C=C(C=C2)OC

WGKドイツ

3

RTECS

NL7700000

分子量

204.27

Beilstein

170533

Reaxy-Rn

170533

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=170533&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Anisoles Aralkylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Anisole - Alkyl aryl ether - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-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

• 融点（°C）: 123-126 °C (lit.)
• 分子量: 204.270 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.126 Da
• Monoisotopic Mass: 204.126 Da
• Topological Polar Surface Area: 28.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 208.000
• 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.

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 16620-52-3, the molecular formula is C12H16N2O, and the molecular weight is 204.27 g/mol. InChIKey GOERTRUXQHDLHC-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.