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

CAS: 78440-76-3 Cat. No.: M158573 Summenformel: C₁₀H₁₁NO Molekulargewicht: 161.2 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 488188260
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188260
• Kanonisches Lächeln: 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
• Isomere SMILES: COCC1=CNC2=CC=CC=C21
• Molekulargewicht: 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
    • Klasse Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 98 °C
• Molekulargewicht: 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

Referenzen

1. Yubo Hu, Yuxiang Liu, Jun Wu, Yuda Li, Jiaxing Jiang, Feng Wang.  (2021)  A Case Study on a Soluble Dibenzothiophene-S,S-dioxide-Based Conjugated Polyelectrolyte for Photocatalytic Hydrogen Production: The Film versus the Bulk Material.  ACS Applied Materials & Interfaces,      [PMID:34491032] [10.1021/acsami.1c10748]

2. Tingjun Zhong, Richard J. Mandle, John W. Goodby, Cuihong Zhang, Lanying Zhang.  (2020)  Thiol-ene reaction based polymer dispersed liquid crystal composite films with low driving voltage and high contrast ratio.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2018.1563919]

3. Qi Wu, Qing Ma, Zhenqi Zhang, Wei Yang, Shaohua Gou, Jinglun Huang, Guijuan Fan.  (2020)  Combustion and catalytic performance of metal-free heat-resistant energetic polymeric materials.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2020.125739]

4. Xiao-Qiu Dou, Di Zhang, Chuan-Liang Feng.  (2013)  Wettability of Supramolecular Nanofibers for Controlled Cell Adhesion and Proliferation.  LANGMUIR,      [PMID:24261845] [10.1021/la4040276]

Häufig gestellte Fragen

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.