6-Ethoxy-1H-indole - ≥98% , CAS No.37865-86-4

CAS: 37865-86-4 Cat. No.: E193082 Formule: C₁₀H₁₁NO Poids moléculaire: 161.2

GRADE & PURITY ≥98%

Synonyms

6-Ethoxy-1H-indole|37865-86-4|6-Ethoxyindole|6-ethyoxyindole|875Q1L07HK|6-Ethoxy-1H-indole; 6-Ethoxyindole|1H-Indole, 6-ethoxy-|EINECS 253-696-5|6-Ethoxy-1-H-indole|SCHEMBL827340|UNII-875Q1L07HK|DTXSID00191301|MFCD00051498|AKOS006273802|FS-3096|AC-27776|F

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

6-Ethoxy-1H-indole | 37865-86-4 | 6-Ethoxyindole | 6-ethyoxyindole | 875Q1L07HK | 6-Ethoxy-1H-indole; 6-Ethoxyindole | 1H-Indole, 6-ethoxy- | EINECS 253-696-5 | 6-Ethoxy-1-H-indole | SCHEMBL827340 | UNII-875Q1L07HK | DTXSID00191301 | MFCD00051498 | AKOS006273802 | FS-3096 | AC-27776 | F

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CCOC1=CC2=C(C=C1)C=CN2
• IUPAC Name: 6-ethoxy-1H-indole
• InChIKey: RPMWEGXHQSEPPH-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO/c1-2-12-9-4-3-8-5-6-11-10(8)7-9/h3-7,11H,2H2,1H3
• Isomères SMILES: CCOC1=CC2=C(C=C1)C=CN2
• Poids moléculaire: 161.2
• Reaxy-Rn: 118298
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118298&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: Indoles
• Alternative Parents: Alkyl aryl ethers Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - 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 indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

• Poids moléculaire: 161.200 g/mol
• XLogP3: 3.000
• 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?

This product is supplied at ≥98% 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 37865-86-4, the molecular formula is C10H11NO, and the molecular weight is 161.2 g/mol. InChIKey RPMWEGXHQSEPPH-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.