1,3-Dimethyl-4-piperidone - ≥98%(GC)(T) , CAS No.4629-80-5

CAS: 4629-80-5 Cat. No.: D154313 Formula: C₇H₁₃NO Peso molecolare: 127.19 Beilstein Registry Number: 21(5)6,480 Numero EC: 225-046-0

GRADE & PURITY ≥98%(GC)(T)

Synonyms

1,3-dimethylpiperidine-4-one | W-106095 | AKOS016347369 | 1,3-Dimethyl-4-piperidinone | FT-0615853 | MFCD00100893 | 1,3-DIMETHYLTETRAHYDRO-4(1H)-PYRIDINONE | EN300-60127 | 1,3-Dimethyl-4-piperidinone # | SCHEMBL1476498 | AC-6515 | 1,3-Dimethyl-piperidin-4

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1,3-dimethylpiperidine-4-one | W-106095 | AKOS016347369 | 1,3-Dimethyl-4-piperidinone | FT-0615853 | MFCD00100893 | 1,3-DIMETHYLTETRAHYDRO-4(1H)-PYRIDINONE | EN300-60127 | 1,3-Dimethyl-4-piperidinone # | SCHEMBL1476498 | AC-6515 | 1,3-Dimethyl-piperidin-4

Specifiche e purezza

≥98%(GC)(T)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)(T)

Nomi e identificatori

• Pubchem Sid: 488187403
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187403
• Sorrisi canonici: CC1CN(CCC1=O)C
• IUPAC Name: 1,3-dimethylpiperidin-4-one
• InChIKey: BGDGMIWDPMJYPP-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h6H,3-5H2,1-2H3
• Isomeri SMILES: CC1CN(CCC1=O)C
• Peso molecolare: 127.19
• Beilstein: 21(5)6,480
• Reaxy-Rn: 110056
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110056&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

Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.46
• Punto di infiammabilità (°C): 65 °C
• Punto di ebollizione (°C): 62°C/12mmHg(lit.)
• Peso molecolare: 127.180 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• 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: 122.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 4629-80-5, the molecular formula is C7H13NO, and the molecular weight is 127.19 g/mol. InChIKey BGDGMIWDPMJYPP-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.