3-Acetamidopyridine - ≥98% , CAS No.5867-45-8

CAS: 5867-45-8 Cat. No.: A151789 Summenformel: C₇H₈N₂O Molekulargewicht: 136.15 Beilstein Registry Number: 22(5)9,17 EG-Nummer: 675-416-4

GRADE & PURITY ≥98%

Synonyms

IDI1_008214 | 862W2J86S3 | D-Glucose-diethyldithioacetal | N-3-Pyridinylacetamide | FS-5000 | STK144846 | AKOS000117999 | Acetamide, N-3-pyridinyl- (9CI) | Enamine_005979 | MFCD00008411 | Pyridine, 3-acetamido- | D76087 | ethyl 2-(acetylamino)-2-cyanoacet

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

IDI1_008214 | 862W2J86S3 | D-Glucose-diethyldithioacetal | N-3-Pyridinylacetamide | FS-5000 | STK144846 | AKOS000117999 | Acetamide, N-3-pyridinyl- (9CI) | Enamine_005979 | MFCD00008411 | Pyridine, 3-acetamido- | D76087 | ethyl 2-(acetylamino)-2-cyanoacet

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488185801
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185801
• Kanonisches Lächeln: CC(=O)NC1=CN=CC=C1
• IUPAC Name: N-pyridin-3-ylacetamide
• InChIKey: JVYIBLHBCPSTKF-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O/c1-6(10)9-7-3-2-4-8-5-7/h2-5H,1H3,(H,9,10)
• Isomere SMILES: CC(=O)NC1=CN=CC=C1
• Molekulargewicht: 136.15
• Beilstein: 22(5)9,17
• Reaxy-Rn: 113843
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113843&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acetylarylamines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acetylarylamine - Pyridine - Heteroaromatic compound - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-acetylarylamines. These are acetamides where one or more amide hydrogens is substituted by an aryl 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Siedepunkt (°C): 327°C(lit.)
• Schmelzpunkt (°C): 136 °C
• Molekulargewicht: 136.150 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% 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 5867-45-8, the molecular formula is C7H8N2O, and the molecular weight is 136.15 g/mol. InChIKey JVYIBLHBCPSTKF-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.