1-methyl-4,5,6,7-tetrahydro-1H-indol-4-one - ≥96% , CAS No.51471-08-0

CAS: 51471-08-0 Cat. No.: M635950 Peso molecular: 149.19 PubChem CID: 280226

GRADE & PURITY ≥96%

Synonyms

1-Methyl-6,7-dihydro-1H-indol-4(5H)-one | 1-METHYL-4,5,6,7-TETRAHYDRO-1H-INDOL-4-ONE | J-518151 | AKOS004907162 | 1-methyl-1,5,6,7-tetrahydroindol-4-one | 1-methyl-1,5,6,7-tetrahydroindol4-one | 1-methyl-6,7-dihydro-5H-indol-4-one | 6,7-Dihydro-1-methyl-1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1-Methyl-6, 7-dihydro-1H-indol-4(5H)-one | 1-METHYL-4, 5, 6, 7-TETRAHYDRO-1H-INDOL-4-ONE | J-518151 | AKOS004907162 | 1-methyl-1, 5, 6, 7-tetrahydroindol-4-one | 1-methyl-1, 5, 6, 7-tetrahydroindol4-one | 1-methyl-6, 7-dihydro-5H-indol-4-one | 6, 7-Dihydro-1-methyl-1

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CN1C=CC2=C1CCCC2=O
• IUPAC Name: 1-methyl-6,7-dihydro-5H-indol-4-one
• InChIKey: DZQFXLPORSTNMP-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO/c1-10-6-5-7-8(10)3-2-4-9(7)11/h5-6H,2-4H2,1H3
• Isómeros SMILES: CN1C=CC2=C1CCCC2=O
• CAS alternativo: 51471-08-0
• PubChem CID: 280226
• Número NSC: 131678
• Peso molecular: 149.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Aryl alkyl ketones N-methylpyrroles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Aryl alkyl ketone - Aryl ketone - N-methylpyrrole - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• 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

Propiedades químicas y físicas

• Peso molecular: 149.190 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 22.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 178.000
• 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