1-Acetylpiperidin-2-one - ≥98% , CAS No.3326-13-4

CAS: 3326-13-4 Cat. No.: A726311 Summenformel: C₇H₁₁NO₂ Molekulargewicht: 141.17

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528754345

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528754345

Kanonisches Lächeln

CC(=O)N1CCCCC1=O

IUPAC Name

1-acetylpiperidin-2-one

InChIKey

UBDLJNPJCXUZGB-UHFFFAOYSA-N

INCHI

1S/C7H11NO2/c1-6(9)8-5-3-2-4-7(8)10/h2-5H2,1H3

Isomere SMILES

CC(=O)N1CCCCC1=O

Molekulargewicht

141.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines
      • Subclass N-acylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: N-acylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acylpiperidines
• Alternative Parents: Piperidinones Delta lactams N-substituted carboxylic acid imides Dicarboximides Acetamides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-acyl-piperidine - Delta-lactam - Piperidinone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Acetamide - Lactam - Carboxylic acid derivative - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-acylpiperidines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of a piperidine.
• 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

• Siedepunkt (°C): 260.5°C at 760 mmHg
• Molekulargewicht: 141.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.079 Da
• Monoisotopic Mass: 141.079 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 165.000
• 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