Ifflaiamine - ≥95% , CAS No.31520-95-3

CAS: 31520-95-3 Cat. No.: I935912 PubChem CID: 12310788

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CC1C(C2=C(O1)N(C3=CC=CC=C3C2=O)C)(C)C
• IUPAC Name: 2,3,3,9-tetramethyl-2H-furo[2,3-b]quinolin-4-one
• InChIKey: QLPMLMDURILOQO-UHFFFAOYSA-N
• INCHI: 1S/C15H17NO2/c1-9-15(2,3)12-13(17)10-7-5-6-8-11(10)16(4)14(12)18-9/h5-9H,1-4H3
• Isomeri SMILES: CC1C(C2=C(O1)N(C3=CC=CC=C3C2=O)C)(C)C
• PubChem CID: 12310788

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Dihydrofuranoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dihydrofuranoquinolines
• Alternative Parents: Hydroquinolones Hydroquinolines Alkyl aryl ethers Pyridines and derivatives Benzenoids Vinylogous esters Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydrofuranoquinoline - Dihydroquinolone - Dihydroquinoline - Alkyl aryl ether - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous ester - Ether - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dihydrofuranoquinolines. These are organic heterocyclic compounds with a structure based on the dihydrofuranoquinoline skeleton.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 243.300 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 243.126 Da
• Monoisotopic Mass: 243.126 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 424.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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.

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

The CAS Number is 31520-95-3. InChIKey QLPMLMDURILOQO-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.