5-Methoxy-3-indolylacetonitrile - ≥95% , CAS No.2436-17-1

CAS: 2436-17-1 Cat. No.: M168955 Formula: C₁₁H₁₀N₂O Peso molecolare: 186.21 Numero EC: 800-083-0

GRADE & PURITY ≥95%

Synonyms

AKOS005258779 | 5-Methoxy-3-indolylacetonitrile, 95% | BCP26955 | 5-Methoxy-3-indolylacetonitrile | (5-methoxy-3-indolyl)-acetonitrile | (5-methoxy-1H-indol-3-yl)acetonitrile | (5-methoxy-1H-indol-3-yl)-acetonitrile | FT-0650677 | 2-(5-methoxy-1H-indol-3-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AKOS005258779 | 5-Methoxy-3-indolylacetonitrile, 95% | BCP26955 | 5-Methoxy-3-indolylacetonitrile | (5-methoxy-3-indolyl)-acetonitrile | (5-methoxy-1H-indol-3-yl)acetonitrile | (5-methoxy-1H-indol-3-yl)-acetonitrile | FT-0650677 | 2-(5-methoxy-1H-indol-3-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488194450

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194450

Sorrisi canonici

COC1=CC2=C(C=C1)NC=C2CC#N

IUPAC Name

2-(5-methoxy-1H-indol-3-yl)acetonitrile

InChIKey

ZBQCXEREMRGOCO-UHFFFAOYSA-N

INCHI

1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3

Isomeri SMILES

COC1=CC2=C(C=C1)NC=C2CC#N

WGK Germania

3

Peso molecolare

186.21

Reaxy-Rn

163606

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=163606&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 Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Anisole - Phenol ether - Alkyl aryl ether - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 65-69 °C
• Peso molecolare: 186.210 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.079 Da
• Monoisotopic Mass: 186.079 Da
• Topological Polar Surface Area: 48.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 245.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% 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 2436-17-1, the molecular formula is C11H10N2O, and the molecular weight is 186.21 g/mol. InChIKey ZBQCXEREMRGOCO-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.