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 Molecular Weight: 297.06 EC Number: 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

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

Specifications & Purity

≥98%

Storage

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

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760970
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760970
• Canonical Smiles: [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
• Isomeric SMILES: [B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C=CC=CC1=O
• WGK Germany: 3
• PubChem CID: 2733204
• Molecular Weight: 297.06
• Reaxy-Rn: 4629484

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Moisture Sensitive,Heat Sensitive
• Melt Point(°C): 140°C
• Molecular Weight: 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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