6-Hydroxyisoquinoline - ≥97% , CAS No.7651-82-3

CAS: 7651-82-3 Cat. No.: H186485 Formule: C₉H₇NO Poids moléculaire: 145.2 Numéro CE: 231-612-8

GRADE & PURITY ≥97%

Synonyms

6-ISOQUINOLINOL | isoquinolin-6-one | SCHEMBL276041 | NoName_812 | PS-5640 | 6-HYDROXYISOQUINOLINE | 6-Hydroxy-isoquinoline | 2-bromo-6-fluorobenzoic acidisoquinolin-6-ol | A9696 | AB19117 | Isoquinolin-6(2H)-one | EINECS 231-612-8 | EN300-83452 | DTXSID8

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

6-ISOQUINOLINOL | isoquinolin-6-one | SCHEMBL276041 | NoName_812 | PS-5640 | 6-HYDROXYISOQUINOLINE | 6-Hydroxy-isoquinoline | 2-bromo-6-fluorobenzoic acidisoquinolin-6-ol | A9696 | AB19117 | Isoquinolin-6(2H)-one | EINECS 231-612-8 | EN300-83452 | DTXSID8

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1=CC2=C(C=CN=C2)C=C1O
• IUPAC Name: isoquinolin-6-ol
• InChIKey: GPVPDRHTRGTSIH-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-6,11H
• Isomères SMILES: C1=CC2=C(C=CN=C2)C=C1O
• Poids moléculaire: 145.2
• Reaxy-Rn: 113240
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113240&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 145.160 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.053 Da
• Monoisotopic Mass: 145.053 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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