Mequindox - ≥95% , CAS No.16915-79-0

CAS: 16915-79-0 Cat. No.: M342016 Formule: C₁₀H₁₀N₂O₃ Poids moléculaire: 206.2

GRADE & PURITY ≥95%

Synonyms

NSC352521 | NSC-352521 | 2-hydroxymethyl-3-methylquinoxaline-1,4-dioxide | MEQUIDOX [INN] | MEQUINDOX[2-ACETYL-3-METHYLQUINOXALINEDIUM-1,4-DIOLATE] | 2-Quinoxalinemethanol, 1,4-dioxide | MZRHTYDFTZJMLV-UHFFFAOYSA-N | 2-(Hydroxymethyl)-3-methylquinoxaline

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

NSC352521 | NSC-352521 | 2-hydroxymethyl-3-methylquinoxaline-1,4-dioxide | MEQUIDOX [INN] | MEQUINDOX[2-ACETYL-3-METHYLQUINOXALINEDIUM-1,4-DIOLATE] | 2-Quinoxalinemethanol, 1,4-dioxide | MZRHTYDFTZJMLV-UHFFFAOYSA-N | 2-(Hydroxymethyl)-3-methylquinoxaline

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CC1=C([N+](=O)C2=CC=CC=C2N1[O-])CO
• IUPAC Name: (3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)methanol
• InChIKey: MZRHTYDFTZJMLV-UHFFFAOYSA-N
• INCHI: 1S/C10H10N2O3/c1-7-10(6-13)12(15)9-5-3-2-4-8(9)11(7)14/h2-5,13H,6H2,1H3
• Isomères SMILES: CC1=C([N+](=O)C2=CC=CC=C2N1[O-])CO
• Poids moléculaire: 206.2
• Reaxy-Rn: 184113
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=184113&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Aminoxides Primary alcohols Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Benzenoid - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Aminoxide - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic zwitterion - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - 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

Propriétés chimiques et physiques

• Point d'ébullition (°C): 544.22° C (Predicted)
• Point de fusion (°C): 153-158° C
• Poids moléculaire: 206.200 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.069 Da
• Monoisotopic Mass: 206.069 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 314.000
• 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

Foire aux questions

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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 16915-79-0, the molecular formula is C10H10N2O3, and the molecular weight is 206.2 g/mol. InChIKey MZRHTYDFTZJMLV-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.