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

CAS: 3612-18-8 Cat. No.: E156493 Formula: C₇H₁₃NO Peso molecolare: 127.19 Beilstein Registry Number: 107533 Numero EC: 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

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504755150
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755150
• Sorrisi canonici: 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
• Isomeri SMILES: CCN1CCC(=O)CC1
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.46
• Punto di infiammabilità (°F): 154.4 °F
• Punto di infiammabilità (°C): 68℃
• Punto di ebollizione (°C): 46-48°/1mm
• Peso molecolare: 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