Magnalgin - ≥95% , CAS No.63372-86-1

CAS: 63372-86-1 Cat. No.: M959407 Fórmula: C₂₆H₃₂MgN₆O₈S₂ Peso molecular: 645 PubChem CID: 80253

GRAU & PUREZA ≥95%

Storage

Room temperature

Especificações

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Tipo de ação

INHIBITOR

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNCS(=O)(=O)[O-].CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNCS(=O)(=O)[O-].[Mg+2]

IUPAC Name

magnesium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylamino]methanesulfonate

InChIKey

SWVHAJMRDNELNV-UHFFFAOYSA-L

INCHI

1S/2C13H17N3O4S.Mg/c2*1-10-12(8-14-9-21(18,19)20)13(17)16(15(10)2)11-6-4-3-5-7-11;/h2*3-7,14H,8-9H2,1-2H3,(H,18,19,20);/q;;+2/p-2

SMILES isoméricas

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNCS(=O)(=O)[O-].CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNCS(=O)(=O)[O-].[Mg+2]

PubChem CID

80253

Peso molecular

645

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Benzene and substituted derivatives Pyrazolones Alkanesulfonic acids Vinylogous amides Heteroaromatic compounds Organosulfonic acids Sulfonyls Lactams Dialkylamines Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Phenylpyrazole - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Vinylogous amide - Heteroaromatic compound - Lactam - Secondary aliphatic amine - Secondary amine - Azacycle - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organic zwitterion - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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

Propriedades químicas e físicas

• Peso molecular: 645.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 644.157 Da
• Monoisotopic Mass: 644.157 Da
• Topological Polar Surface Area: 202.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 519.000
• 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: 3

XLogP3

Perguntas frequentes

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 63372-86-1, the molecular formula is C26H32MgN6O8S2, and the molecular weight is 645 g/mol. InChIKey SWVHAJMRDNELNV-UHFFFAOYSA-L.

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.