GRADE & PURITY ≥98%

Synonyms

5-AMINO-1-METIL-2,3-DIHIDRO-1H-INDOL-2-ONA | 2H-Indol-2-ona, 5-amino-1,3-dihidro-1-metil- | MFCD09702413 | 5-amino-1-metil-3H-indol-2-ona | 5-amino-1-metilindolin-2-ona | 5-Amino-1-metil-2-oxoindolina | 5-amino-1-metil-1,3-dihidro-2H-indol-2-ona

Storage

Protegido de la luz,Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

5-AMINO-1-METIL-2, 3-DIHIDRO-1H-INDOL-2-ONA | 2H-Indol-2-ona, 5-amino-1, 3-dihidro-1-metil- | MFCD09702413 | 5-amino-1-metil-3H-indol-2-ona | 5-amino-1-metilindolin-2-ona | 5-Amino-1-metil-2-oxoindolina | 5-amino-1-metil-1, 3-dihidro-2H-indol-2-ona

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Temperatura ambiente

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CN1C(=O)CC2=C1C=CC(=C2)N
• IUPAC Name: 5-amino-1-methyl-3H-indol-2-one
• InChIKey: ZGLUKQQSWABKDH-UHFFFAOYSA-N
• INCHI: 1S/C9H10N2O/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5,10H2,1H3
• Isómeros SMILES: CN1C(=O)CC2=C1C=CC(=C2)N
• Peso molecular: 162.19
• Reaxy-Rn: 132215
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132215&ln=

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: Benzenoids Tertiary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Primary amine - Organic nitrogen 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

• Sensibilidad: light sensitive
• Peso molecular: 162.190 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.079 Da
• Monoisotopic Mass: 162.079 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 205.000
• 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