8-Methoxyisoquinoline - ≥98% , CAS No.1723-70-2

CAS: 1723-70-2 Cat. No.: M182066 Peso molecular: 159.18 Número EC: 691-800-4

GRADE & PURITY ≥98%

Synonyms

HHZGHKIHHIKUHK-UHFFFAOYSA-N | EN300-101079 | SY026448 | MFCD09258766 | ISOQUINOLINE, 8-METHOXY- | AKOS006346258 | AC-9602 | FT-0654789 | AB49764 | J-010812 | PS-6084 | A3800 | SCHEMBL1491286 | DTXSID10474778 | 8-methoxyisoquinoline | 8-methoxy-isoquinolin

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

HHZGHKIHHIKUHK-UHFFFAOYSA-N | EN300-101079 | SY026448 | MFCD09258766 | ISOQUINOLINE, 8-METHOXY- | AKOS006346258 | AC-9602 | FT-0654789 | AB49764 | J-010812 | PS-6084 | A3800 | SCHEMBL1491286 | DTXSID10474778 | 8-methoxyisoquinoline | 8-methoxy-isoquinolin

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=CC2=C1C=NC=C2
• IUPAC Name: 8-methoxyisoquinoline
• InChIKey: HHZGHKIHHIKUHK-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-7H,1H3
• Isómeros SMILES: COC1=CC=CC2=C1C=NC=C2
• Peso molecular: 159.18
• Reaxy-Rn: 1525506
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1525506&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 159.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.068 Da
• Monoisotopic Mass: 159.068 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• 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