2-​piperidinone, 3-​methyl- - ≥97% , CAS No.3768-43-2

CAS: 3768-43-2 Cat. No.: P176325 Formula: C₆H₁₁NO Peso molecolare: 113.1576 Numero EC: 223-196-1 PubChem CID: 107169

GRADE & PURITY ≥97%

Synonyms

FT-0725592 | 3-Methylpiperidin-2-one | A874029 | EINECS 223-196-1 | SCHEMBL1115487 | J-512921 | AKOS006230438 | PHGAOXNFCZKFTR-UHFFFAOYSA-N | BS-12937 | EN300-119176 | 3-methyl-2-piperidinone | P10093 | 3-methyl-2-piperidone | 3-Methyl-2-oxopiperidine | S

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

FT-0725592 | 3-Methylpiperidin-2-one | A874029 | EINECS 223-196-1 | SCHEMBL1115487 | J-512921 | AKOS006230438 | PHGAOXNFCZKFTR-UHFFFAOYSA-N | BS-12937 | EN300-119176 | 3-methyl-2-piperidinone | P10093 | 3-methyl-2-piperidone | 3-Methyl-2-oxopiperidine | S

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: CC1CCCNC1=O
• IUPAC Name: 3-methylpiperidin-2-one
• InChIKey: PHGAOXNFCZKFTR-UHFFFAOYSA-N
• INCHI: 1S/C6H11NO/c1-5-3-2-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8)
• Isomeri SMILES: CC1CCCNC1=O
• PubChem CID: 107169
• Peso molecolare: 113.1576

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: Delta lactams Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta-lactam - Piperidinone - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - 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)

Mus musculus (284745 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 113.160 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.084 Da
• Monoisotopic Mass: 113.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 101.000
• 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?

This product is supplied at ≥97% 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 3768-43-2, the molecular formula is C6H11NO, and the molecular weight is 113.1576 g/mol. InChIKey PHGAOXNFCZKFTR-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.