6-Methoxyisoquinoline - ≥98% , CAS No.52986-70-6

CAS: 52986-70-6 Cat. No.: M185006 Formule: C₁₀H₉NO Poids moléculaire: 159.2 Numéro CE: 836-137-5

GRADE & PURITY ≥98%

Synonyms

6-methoxyisoquinoline | 6-methoxy-isoquinoline | ISOQUINOLINE, 6-METHOXY- | XZNUJESLPUNSNO-UHFFFAOYSA-N | AB19119 | 6-Methoxy Isoquinoline | J-518858 | 6-isoquinolinyl methyl ether | EN300-120494 | S-3536 | DTXSID60452920 | AMY18040 | A7723 | FT-0654728 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

6-methoxyisoquinoline | 6-methoxy-isoquinoline | ISOQUINOLINE, 6-METHOXY- | XZNUJESLPUNSNO-UHFFFAOYSA-N | AB19119 | 6-Methoxy Isoquinoline | J-518858 | 6-isoquinolinyl methyl ether | EN300-120494 | S-3536 | DTXSID60452920 | AMY18040 | A7723 | FT-0654728 |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504765923

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765923

Sourires canoniques

COC1=CC2=C(C=C1)C=NC=C2

IUPAC Name

6-methoxyisoquinoline

InChIKey

XZNUJESLPUNSNO-UHFFFAOYSA-N

INCHI

1S/C10H9NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-7H,1H3

Isomères SMILES

COC1=CC2=C(C=C1)C=NC=C2

Poids moléculaire

159.2

Reaxy-Rn

115225

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115225&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: 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
• 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: 159.180 g/mol
• XLogP3: 2.200
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 52986-70-6, the molecular formula is C10H9NO, and the molecular weight is 159.2 g/mol. InChIKey XZNUJESLPUNSNO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.