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

CAS: 16620-52-3 Cat. No.: M167774 Fórmula: C₁₂H₁₆N₂O Peso molecular: 204.27 Beilstein Registry Number: 170533 Número CE: 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

Visão geral

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

Sinónimos

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-

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488183067

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

3

RTECS

NL7700000

Peso molecular

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
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 123-126 °C (lit.)
• Peso molecular: 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

Perguntas frequentes

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.