O-(2-Oxo-1(2H)pyridyl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate - ≥98% , CAS No.125700-71-2

CAS: 125700-71-2 Cat. No.: D102848 Peso molecular: 297.06 Número EC: 681-190-8 PubChem CID: 2733204

GRADE & PURITY ≥98%

Synonyms

TPTU | O-(2-Oxo-1(2H)pyridyl)-N,N,N??,N??-tetramethyluronium tetrafluoroborate | O-(2-Oxo-1(2H)pyridyl)-N,N,N',N'-tetramethyluroniumtetrafluoroborate | TPTU | O-(1,2-dihydro-2-oxo-1-pyridyl)-N,N,N',N'-tetramethyluronium-tetrafluroborate | O-(1,2-dihydro-2

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

TPTU | O-(2-Oxo-1(2H)pyridyl)-N, N, N??, N??-tetramethyluronium tetrafluoroborate | O-(2-Oxo-1(2H)pyridyl)-N, N, N', N'-tetramethyluroniumtetrafluoroborate | TPTU | O-(1, 2-dihydro-2-oxo-1-pyridyl)-N, N, N', N'-tetramethyluronium-tetrafluroborate | O-(1, 2-dihydro-2

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760970
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760970
• Sonrisas canónicas: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C=CC=CC1=O
• IUPAC Name: [dimethylamino-(2-oxopyridin-1-yl)oxymethylidene]-dimethylazanium;tetrafluoroborate
• InChIKey: CZQGINAUZYECAI-UHFFFAOYSA-N
• INCHI: 1S/C10H16N3O2.BF4/c1-11(2)10(12(3)4)15-13-8-6-5-7-9(13)14;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
• Isómeros SMILES: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C=CC=CC1=O
• WGK Alemania: 3
• PubChem CID: 2733204
• Peso molecular: 297.06
• Reaxy-Rn: 4629484

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Dihydropyridines Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Carboximidic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Pyridinone - Heteroaromatic compound - Lactam - Carboximidic acid derivative - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic metalloid salt - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
• 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

• Solubilidad: Soluble in water
• Sensibilidad: Moisture Sensitive,Heat Sensitive
• Punto de fusión (°C): 140°C
• Peso molecular: 297.060 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 297.127 Da
• Monoisotopic Mass: 297.127 Da
• Topological Polar Surface Area: 35.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 345.000
• 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: 2

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