7-Ethyl-1h-indole-3-carbaldehyde - ≥95% , CAS No.154989-45-4

CAS: 154989-45-4 Cat. No.: E181744 Fórmula: C₁₁H₁₁NO Peso molecular: 173.2 Número CE: 673-566-5

GRADE & PURITY ≥95%

Synonyms

FT-0677099 | EN300-01159 | 7-Ethyl-1H-indole-3-carbaldehyde, AldrichCPR | AS-47730 | 7-Ethylindole-3-carboxaldehyde, 7-Ethyl-3-formylindole | STL290878 | 7-ethylindole-3carboxaldehyde | 7-ethylindole-3-carboxaldehyde | A809592 | F15903 | SCHEMBL13219343 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0677099 | EN300-01159 | 7-Ethyl-1H-indole-3-carbaldehyde, AldrichCPR | AS-47730 | 7-Ethylindole-3-carboxaldehyde, 7-Ethyl-3-formylindole | STL290878 | 7-ethylindole-3carboxaldehyde | 7-ethylindole-3-carboxaldehyde | A809592 | F15903 | SCHEMBL13219343 |

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CCC1=C2C(=CC=C1)C(=CN2)C=O
• IUPAC Name: 7-ethyl-1H-indole-3-carbaldehyde
• InChIKey: DKTNMUOPASFCOT-UHFFFAOYSA-N
• INCHI: 1S/C11H11NO/c1-2-8-4-3-5-10-9(7-13)6-12-11(8)10/h3-7,12H,2H2,1H3
• SMILES isoméricas: CCC1=C2C(=CC=C1)C(=CN2)C=O
• Peso molecular: 173.2
• Reaxy-Rn: 6324547
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6324547&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: Aryl-aldehydes Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aryl-aldehyde - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 173.210 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 173.084 Da
• Monoisotopic Mass: 173.084 Da
• Topological Polar Surface Area: 32.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 193.000
• 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

Perguntas frequentes

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 154989-45-4, the molecular formula is C11H11NO, and the molecular weight is 173.2 g/mol. InChIKey DKTNMUOPASFCOT-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.