WAY-324485 - 10mM in DMSO , CAS No.337920-42-0

CAS: 337920-42-0 Cat. No.: W423461 Fórmula: C₁₃H₁₂F₃N₃O Peso molecular: 283.25 PubChem CID: 1471995

CALIDAD & PUREZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

pesticides

Especificaciones

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid

528767923

Sonrisas canónicas

C1COCCN1C2=NC3=CC=CC=C3N=C2C(F)(F)F

IUPAC Name

4-[3-(trifluoromethyl)quinoxalin-2-yl]morpholine

InChIKey

CVLXLLSRTYGQGM-UHFFFAOYSA-N

INCHI

1S/C13H12F3N3O/c14-13(15,16)11-12(19-5-7-20-8-6-19)18-10-4-2-1-3-9(10)17-11/h1-4H,5-8H2

Isómeros SMILES

C1COCCN1C2=NC3=CC=CC=C3N=C2C(F)(F)F

PubChem CID

1471995

Peso molecular

283.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Dialkylarylamines Aminopyrazines Morpholines Imidolactams Benzenoids Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Dialkylarylamine - Aminopyrazine - Morpholine - Oxazinane - Pyrazine - Benzenoid - Imidolactam - Heteroaromatic compound - Dialkyl ether - Ether - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

Propiedades químicas y físicas

• Peso molecular: 283.250 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 283.093 Da
• Monoisotopic Mass: 283.093 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 333.000
• 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