2-(2-Ethoxyethoxy)quinolin-6-amine - ≥95% , CAS No.1153152-67-0

CAS: 1153152-67-0 Cat. No.: E986715 Summenformel: C₁₃H₁₆N₂O₂ Molekulargewicht: 232.27 PubChem CID: 43451073

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CCOCCOC1=NC2=C(C=C1)C=C(C=C2)N
• IUPAC Name: 2-(2-ethoxyethoxy)quinolin-6-amine
• InChIKey: BBAFBWRQKYFRID-UHFFFAOYSA-N
• INCHI: 1S/C13H16N2O2/c1-2-16-7-8-17-13-6-3-10-9-11(14)4-5-12(10)15-13/h3-6,9H,2,7-8,14H2,1H3
• Isomere SMILES: CCOCCOC1=NC2=C(C=C1)C=C(C=C2)N
• PubChem CID: 43451073
• Molekulargewicht: 232.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolones and derivatives
• Alternative Parents: Aminoquinolines and derivatives Alkyl aryl ethers Pyridines and derivatives Benzenoids Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Quinolone - Alkyl aryl ether - Pyridine - Benzenoid - Heteroaromatic compound - Dialkyl ether - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 232.280 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 232.121 Da
• Monoisotopic Mass: 232.121 Da
• Topological Polar Surface Area: 57.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 225.000
• 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

Häufig gestellte Fragen

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.

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

The CAS Number is 1153152-67-0, the molecular formula is C13H16N2O2, and the molecular weight is 232.27 g/mol. InChIKey BBAFBWRQKYFRID-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.