7-Amino-3,4-dihydroisoquinolin-1(2H)-one - ≥95% , CAS No.66491-03-0

CAS: 66491-03-0 Cat. No.: A194476 Peso molecular: 162.19 Número EC: 850-951-8

GRADE & PURITY ≥95%

Synonyms

SCHEMBL11616211 | 7-AMINO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE | A835475 | FT-0692938 | DTXSID70522441 | 7-AMINO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE | 1(2H)-Isoquinolinone, 7-amino-3,4-dihydro- | AB45199 | AKOS013464071 | VNUQVKZHEBCTNT-UHFFFAOYSA-N | 7-AMINO-1,

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL11616211 | 7-AMINO-3, 4-DIHYDRO-2H-ISOQUINOLIN-1-ONE | A835475 | FT-0692938 | DTXSID70522441 | 7-AMINO-3, 4-DIHYDRO-1(2H)-ISOQUINOLINONE | 1(2H)-Isoquinolinone, 7-amino-3, 4-dihydro- | AB45199 | AKOS013464071 | VNUQVKZHEBCTNT-UHFFFAOYSA-N | 7-AMINO-1,

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CNC(=O)C2=C1C=CC(=C2)N
• IUPAC Name: 7-amino-3,4-dihydro-2H-isoquinolin-1-one
• InChIKey: VNUQVKZHEBCTNT-UHFFFAOYSA-N
• INCHI: 1S/C9H10N2O/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4,10H2,(H,11,12)
• Isómeros SMILES: C1CNC(=O)C2=C1C=CC(=C2)N
• Peso molecular: 162.19
• Reaxy-Rn: 472613
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472613&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoquinolines and derivatives
      • Subclass Isoquinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Tetrahydroisoquinolines Benzenoids Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinolone - Tetrahydroisoquinoline - Benzenoid - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
• 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: 162.190 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.079 Da
• Monoisotopic Mass: 162.079 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 12
• 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