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

CAS: 337920-42-0 Cat. No.: W423461 Molecular Weight: 283.25 PubChem CID: 1471995

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

pesticides

Specifications

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Pubchem Sid: 528767923
• Canonical Smiles: 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
• Isomeric SMILES: C1COCCN1C2=NC3=CC=CC=C3N=C2C(F)(F)F
• PubChem CID: 1471995
• Molecular Weight: 283.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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