5-Ethoxyindole - ≥98% , CAS No.10501-17-4

CAS: 10501-17-4 Cat. No.: E179018 Formule: C₁₀H₁₁NO Poids moléculaire: 161.20 Numéro CE: 690-769-4

GRADE & PURITY ≥98%

Synonyms

IEKPDICCMASELW-UHFFFAOYSA-N | MFCD07364533 | AC-8792 | FT-0636721 | E-5980 | FS-3107 | KUC107902N | DTXSID10406438 | SCHEMBL1196091 | 1H-Indole, 5-ethoxy- | 5-Ethoxyindole | 5-Ethoxy-indole | KSC-09-235 | AM681 | 5-ethoxy-1H-indole | AKOS004116921 | BCP27

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

IEKPDICCMASELW-UHFFFAOYSA-N | MFCD07364533 | AC-8792 | FT-0636721 | E-5980 | FS-3107 | KUC107902N | DTXSID10406438 | SCHEMBL1196091 | 1H-Indole, 5-ethoxy- | 5-Ethoxyindole | 5-Ethoxy-indole | KSC-09-235 | AM681 | 5-ethoxy-1H-indole | AKOS004116921 | BCP27

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528761311
• Sourires canoniques: CCOC1=CC2=C(C=C1)NC=C2
• IUPAC Name: 5-ethoxy-1H-indole
• InChIKey: IEKPDICCMASELW-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO/c1-2-12-9-3-4-10-8(7-9)5-6-11-10/h3-7,11H,2H2,1H3
• Isomères SMILES: CCOC1=CC2=C(C=C1)NC=C2
• Poids moléculaire: 161.20
• Reaxy-Rn: 118712
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118712&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: Phenol ethers Alkyl aryl ethers Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Phenol ether - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen 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

• Sensibilité: light sensitive
• Poids moléculaire: 161.200 g/mol
• XLogP3: 2.400
• 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