2,4-Dimethoxyquinoline - ≥95% , CAS No.40335-00-0

CAS: 40335-00-0 Cat. No.: Y170168 Molecular Weight: 189.21 EC Number: 110-179-8

GRADE & PURITY ≥95%

Synonyms

AKOS026674211 | SCHEMBL396614 | SY126537 | 2,4-Dimethoxyquinoline | NSC298324 | NSC-298324 | SB67905 | Y10562 | InChI=1/C11H11NO2/c1-13-10-7-11(14-2)12-9-6-4-3-5-8(9)10/h3-7H,1-2H | NSC 298324 | quinoline, 2,4-dimethoxy- | Yu Borylation Ligand, >=95% | XS

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS026674211 | SCHEMBL396614 | SY126537 | 2, 4-Dimethoxyquinoline | NSC298324 | NSC-298324 | SB67905 | Y10562 | InChI=1/C11H11NO2/c1-13-10-7-11(14-2)12-9-6-4-3-5-8(9)10/h3-7H, 1-2H | NSC 298324 | quinoline, 2, 4-dimethoxy- | Yu Borylation Ligand, >=95% | XS

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COC1=CC(=NC2=CC=CC=C21)OC
• IUPAC Name: 2,4-dimethoxyquinoline
• InChIKey: XSZBLRGKCBUWRJ-UHFFFAOYSA-N
• INCHI: 1S/C11H11NO2/c1-13-10-7-11(14-2)12-9-6-4-3-5-8(9)10/h3-7H,1-2H3
• Isomeric SMILES: COC1=CC(=NC2=CC=CC=C21)OC
• Molecular Weight: 189.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolones and derivatives
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinolone - Alkyl aryl ether - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - 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 quinolones and derivatives. These are compounds containing a quinoline moiety which bears 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

Chemical and Physical Properties

• Melt Point(°C): 82 °C
• Molecular Weight: 189.210 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 189.079 Da
• Monoisotopic Mass: 189.079 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 186.000
• 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