5-amino-2-methyl-2,3-dihydro-1H-isoindol-1-one - ≥97% , CAS No.1190380-38-1

CAS: 1190380-38-1 Cat. No.: A172441 Peso molecular: 162.1885 Número EC: 108-015-5

GRADE & PURITY ≥97%

Synonyms

J-516671 | AS-33466 | MFCD17214360 | EN300-218026 | 5-amino-2-methylisoindolin-1-one | PB27124 | SY098566 | 5-amino-2-methyl-3H-isoindol-1-one | 1H-ISOINDOL-1-ONE, 5-AMINO-2,3-DIHYDRO-2-METHYL- | DTXSID30680571 | FT-0684742 | 1190380-38-1 | 5-amino-2-meth

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

J-516671 | AS-33466 | MFCD17214360 | EN300-218026 | 5-amino-2-methylisoindolin-1-one | PB27124 | SY098566 | 5-amino-2-methyl-3H-isoindol-1-one | 1H-ISOINDOL-1-ONE, 5-AMINO-2, 3-DIHYDRO-2-METHYL- | DTXSID30680571 | FT-0684742 | 1190380-38-1 | 5-amino-2-meth

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CN1CC2=C(C1=O)C=CC(=C2)N
• IUPAC Name: 5-amino-2-methyl-3H-isoindol-1-one
• InChIKey: VNYNRNAJJGDULT-UHFFFAOYSA-N
• INCHI: 1S/C9H10N2O/c1-11-5-6-4-7(10)2-3-8(6)9(11)12/h2-4H,5,10H2,1H3
• Isómeros SMILES: CN1CC2=C(C1=O)C=CC(=C2)N
• Peso molecular: 162.1885
• Reaxy-Rn: 19608315
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19608315&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindolones
• Alternative Parents: Isoindoles Benzenoids Tertiary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindolone - Isoindole - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
• 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: Hygroscopic
• 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