4-Acetylindole - ≥97% , CAS No.50614-86-3

CAS: 50614-86-3 Cat. No.: A176639 Formula: C₁₀H₉NO Peso molecolare: 159.19

GRADE & PURITY ≥97%

Synonyms

ethanone,1-(1h-indol-4-yl)- | AS-34094 | J-502858 | DTXSID50514829 | EN300-1856035 | BDBM93043 | 1-(1H-Indol-4-yl)ethan-1-one | Ethanone, 1-(1H-indol-4-yl)- (9CI) | FT-0731646 | SCHEMBL827588 | 1-(1H-Indol-4-yl)ethanone | 1-(1H-INDOL-4-YL)-ETHANONE | 4-AC

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

ethanone,1-(1h-indol-4-yl)- | AS-34094 | J-502858 | DTXSID50514829 | EN300-1856035 | BDBM93043 | 1-(1H-Indol-4-yl)ethan-1-one | Ethanone, 1-(1H-indol-4-yl)- (9CI) | FT-0731646 | SCHEMBL827588 | 1-(1H-Indol-4-yl)ethanone | 1-(1H-INDOL-4-YL)-ETHANONE | 4-AC

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CC(=O)C1=C2C=CNC2=CC=C1

IUPAC Name

1-(1H-indol-4-yl)ethanone

InChIKey

RUBNGGWBJUGNNA-UHFFFAOYSA-N

INCHI

1S/C10H9NO/c1-7(12)8-3-2-4-10-9(8)5-6-11-10/h2-6,11H,1H3

Isomeri SMILES

CC(=O)C1=C2C=CNC2=CC=C1

Peso molecolare

159.19

Reaxy-Rn

1448990

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1448990&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: Acetophenones Aryl alkyl ketones Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acetophenone - Indole - Aryl alkyl ketone - Aryl ketone - Benzenoid - Pyrrole - Heteroaromatic compound - Ketone - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 159.180 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 159.068 Da
• Monoisotopic Mass: 159.068 Da
• Topological Polar Surface Area: 32.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 190.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 50614-86-3, the molecular formula is C10H9NO, and the molecular weight is 159.19 g/mol. InChIKey RUBNGGWBJUGNNA-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.