1-Ethyl-4-piperidone - ≥98% , CAS No.3612-18-8

CAS: 3612-18-8 Cat. No.: E156493 Fórmula: C₇H₁₃NO Peso molecular: 127.19 Beilstein Registry Number: 107533 Número CE: 222-781-9

GRADE & PURITY ≥98%

Synonyms

4-Piperidinone, 1-ethyl- | p-Tolyl methyl sulfide | EINECS 222-781-9 | MFCD00013356 | W-106642 | SCHEMBL124152 | 1-ethyl-piperidin-4-one | 1-Ethylpiperidin-4-one | DTXSID70189694 | 1-(ethyl)piperidin-4-one | N-ethylpiperid-4-one | 1-Ethyl-4-piperidone | N

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-Piperidinone, 1-ethyl- | p-Tolyl methyl sulfide | EINECS 222-781-9 | MFCD00013356 | W-106642 | SCHEMBL124152 | 1-ethyl-piperidin-4-one | 1-Ethylpiperidin-4-one | DTXSID70189694 | 1-(ethyl)piperidin-4-one | N-ethylpiperid-4-one | 1-Ethyl-4-piperidone | N

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504755150
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755150
• Sorrisos canónicos: CCN1CCC(=O)CC1
• IUPAC Name: 1-ethylpiperidin-4-one
• InChIKey: BDVKAMAALQXGLM-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3
• SMILES isoméricas: CCN1CCC(=O)CC1
• WGK Alemanha: 3
• Peso molecular: 127.19
• Beilstein: 107533
• Reaxy-Rn: 107533
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107533&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Piperidinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinones
• Alternative Parents: Trialkylamines Cyclic ketones Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinone - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine 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

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Índice de refração: 1.46
• Ponto de inflamação (°F): 154.4 °F
• Ponto de inflamação (°C): 68℃
• Ponto de ebulição (°C): 46-48°/1mm
• Peso molecular: 127.180 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.1 Da
• Monoisotopic Mass: 127.1 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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