6-Methoxyquinoline N-Oxide - ≥98% , CAS No.6563-13-9

CAS: 6563-13-9 Cat. No.: M404680 Formula: C₁₀H₉NO₂ Peso molecolare: 175.19 Numero EC: 623-543-0

GRADE & PURITY ≥98%

Synonyms

BS-17302 | MLS002694013 | 6-Methoxy-quinoline 1-oxide | 6-Methoxyquinoline 1-oxide | A835166 | 6-methoxy-quinoline-1-oxide | 6-methoxyquinoline-1-oxide | 6-Methoxyquinoline1-oxide | D-Glucose, labeled with carbon-13 | NCGC00174204-01 | HMS3094G03 | 6-meth

Storage

Room temperature

Panoramica

Product Describtion:

The standard molar enthalpy of formation of 6-methoxyquinoline N-oxide was studied using static-bomb calorimetry. 

Specifications

Sinonimi

BS-17302 | MLS002694013 | 6-Methoxy-quinoline 1-oxide | 6-Methoxyquinoline 1-oxide | A835166 | 6-methoxy-quinoline-1-oxide | 6-methoxyquinoline-1-oxide | 6-Methoxyquinoline1-oxide | D-Glucose, labeled with carbon-13 | NCGC00174204-01 | HMS3094G03 | 6-meth

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488189051
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189051
• Sorrisi canonici: COC1=CC2=C(C=C1)[N+](=CC=C2)[O-]
• IUPAC Name: 6-methoxy-1-oxidoquinolin-1-ium
• InChIKey: BWEGRKPOJXNZSK-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO2/c1-13-9-4-5-10-8(7-9)3-2-6-11(10)12/h2-7H,1H3
• Isomeri SMILES: COC1=CC2=C(C=C1)[N+](=CC=C2)[O-]
• Peso molecolare: 175.19
• Reaxy-Rn: 132099
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132099&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Anisoles Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Anisole - Alkyl aryl ether - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

Obiettivi associati (umani)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 110 °C
• Peso molecolare: 175.180 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.063 Da
• Monoisotopic Mass: 175.063 Da
• Topological Polar Surface Area: 34.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• 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

Domande frequenti

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.

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

The CAS Number is 6563-13-9, the molecular formula is C10H9NO2, and the molecular weight is 175.19 g/mol. InChIKey BWEGRKPOJXNZSK-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.