(4-Pyridyl)acetone - ≥98%(GC) , CAS No.6304-16-1

CAS: 6304-16-1 Cat. No.: P134516 Peso molecular: 135.17 Beilstein Registry Number: 110960 Número EC: 228-605-7 PubChem CID: 80552

GRADE & PURITY ≥98%(GC)

Synonyms

TS-01741 | Z992409812 | 2-((Acetyloxy)methoxy)ethyl acetate | 1-(4-Pyridyl)-2-propanone | 4-Pyridyl acetone | Q27287862 | BCP13413 | F0001-1710 | 4-Pyridinylacetone | R6ONM9F2AU | UNII-R6ONM9F2AU | 1-(4-pyridinyl)-2-propanone | 1-pyridin-4-yl-2-propanone

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product Application:

(4-Pyridyl)acetone is a reactant in the synthesis of Milrinone (M344680), a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity. Cardiotonic.

Specifications

Sinónimos

TS-01741 | Z992409812 | 2-((Acetyloxy)methoxy)ethyl acetate | 1-(4-Pyridyl)-2-propanone | 4-Pyridyl acetone | Q27287862 | BCP13413 | F0001-1710 | 4-Pyridinylacetone | R6ONM9F2AU | UNII-R6ONM9F2AU | 1-(4-pyridinyl)-2-propanone | 1-pyridin-4-yl-2-propanone

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504755468
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755468
• Sonrisas canónicas: CC(=O)CC1=CC=NC=C1
• IUPAC Name: 1-pyridin-4-ylpropan-2-one
• InChIKey: ILRVKOYYFFNXDB-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO/c1-7(10)6-8-2-4-9-5-3-8/h2-5H,6H2,1H3
• Isómeros SMILES: CC(=O)CC1=CC=NC=C1
• PubChem CID: 80552
• Peso molecular: 135.17
• Beilstein: 110960
• Reaxy-Rn: 110960

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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: Slightly soluble in water.
• Sensibilidad: Air Sensitive
• Índice de refracción: 1.52
• Punto de inflamación (°C): 100 °C
• Punto de ebullición (°C): 80 °C/0.3 mmHg
• Punto de fusión (°C): 13℃
• Peso molecular: 135.160 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 135.068 Da
• Monoisotopic Mass: 135.068 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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