3-Methoxymethylindole - ≥98%(HPLC) , CAS No.78440-76-3

CAS: 78440-76-3 Cat. No.: M158573 Formule: C₁₀H₁₁NO Poids moléculaire: 161.2 Numéro CE: 672-671-3

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-(Methoxymethyl)-1H-indole | SCHEMBL887095 | M1305 | DTXSID10229083 | 3-Methoxymethylindole , 98% | MFCD00276420 | 1H-Indole, 3-(methoxymethyl)- | AKOS005203353 | 1H-indol-3-yl methoxy methane | 3-Methoxymethylindole | AS-59120 | RJWLFBCRNXZXTJ-UHFFFAOYS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

3-(Methoxymethyl)-1H-indole | SCHEMBL887095 | M1305 | DTXSID10229083 | 3-Methoxymethylindole , 98% | MFCD00276420 | 1H-Indole, 3-(methoxymethyl)- | AKOS005203353 | 1H-indol-3-yl methoxy methane | 3-Methoxymethylindole | AS-59120 | RJWLFBCRNXZXTJ-UHFFFAOYS

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

488188260

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188260

Sourires canoniques

COCC1=CNC2=CC=CC=C21

IUPAC Name

3-(methoxymethyl)-1H-indole

InChIKey

RJWLFBCRNXZXTJ-UHFFFAOYSA-N

INCHI

1S/C10H11NO/c1-12-7-8-6-11-10-5-3-2-4-9(8)10/h2-6,11H,7H2,1H3

Isomères SMILES

COCC1=CNC2=CC=CC=C21

Poids moléculaire

161.2

Reaxy-Rn

125544

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125544&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: Substituted pyrroles Benzenoids Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 98 °C
• Poids moléculaire: 161.200 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 161.084 Da
• Monoisotopic Mass: 161.084 Da
• Topological Polar Surface Area: 25.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 78440-76-3, the molecular formula is C10H11NO, and the molecular weight is 161.2 g/mol. InChIKey RJWLFBCRNXZXTJ-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.