4-Hydroxy-6-methylquinoline - ≥95% , CAS No.23432-40-8

CAS: 23432-40-8 Cat. No.: H168855 Formula: C₁₀H₉NO Peso molecolare: 159.18 Numero EC: 803-466-0

GRADE & PURITY ≥95%

Synonyms

A878244 | NSC82351 | NSC-82351 | 4-Hydroxy-6-methylquinoline, AldrichCPR | AKOS002337273 | MFCD00272343 | InChI=1/C8H9BrO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3 | DS-13102 | MLS000517807 | STL352805 | AKOS001776845 | HMS3338P12 | J-016503 | KUC100212 | 4-Qui

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

A878244 | NSC82351 | NSC-82351 | 4-Hydroxy-6-methylquinoline, AldrichCPR | AKOS002337273 | MFCD00272343 | InChI=1/C8H9BrO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3 | DS-13102 | MLS000517807 | STL352805 | AKOS001776845 | HMS3338P12 | J-016503 | KUC100212 | 4-Qui

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488189074

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189074

Sorrisi canonici

CC1=CC2=C(C=C1)NC=CC2=O

IUPAC Name

6-methyl-1H-quinolin-4-one

InChIKey

PJEUKNUOCWNERE-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CC1=CC2=C(C=C1)NC=CC2=O

WGK Germania

3

Peso molecolare

159.18

Reaxy-Rn

6191292

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6191292&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• 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)

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

Obiettivi associati (non umani)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 159.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 159.068 Da
• Monoisotopic Mass: 159.068 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 222.000
• 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 ≥95% 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 23432-40-8, the molecular formula is C10H9NO, and the molecular weight is 159.18 g/mol. InChIKey PJEUKNUOCWNERE-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.