3-Methylpiperidin-4-one - ≥97% , CAS No.5773-58-0

CAS: 5773-58-0 Cat. No.: M589544 Summenformel: C₆H₁₁NO Molekulargewicht: 113.16 EG-Nummer: 852-342-2

GRADE & PURITY ≥97%

Synonyms

AM20080736 | DS-12740 | 4-Piperidinone, 3-methyl- | SCHEMBL1019220 | KTWRIXHINMYODR-UHFFFAOYSA-N | DTXSID60484327 | EN300-68233 | J-512925 | 3-methyl-4-piperidone | MFCD07787596 | 3-Methyl-piperidin-4-one | 3-methylpiperidin-4-one | 3-Methylpiperidine-4-o

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

AM20080736 | DS-12740 | 4-Piperidinone, 3-methyl- | SCHEMBL1019220 | KTWRIXHINMYODR-UHFFFAOYSA-N | DTXSID60484327 | EN300-68233 | J-512925 | 3-methyl-4-piperidone | MFCD07787596 | 3-Methyl-piperidin-4-one | 3-methylpiperidin-4-one | 3-Methylpiperidine-4-o

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504767034

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767034

Kanonisches Lächeln

CC1CNCCC1=O

IUPAC Name

3-methylpiperidin-4-one

InChIKey

KTWRIXHINMYODR-UHFFFAOYSA-N

INCHI

1S/C6H11NO/c1-5-4-7-3-2-6(5)8/h5,7H,2-4H2,1H3

Isomere SMILES

CC1CNCCC1=O

Molekulargewicht

113.16

Reaxy-Rn

106912

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106912&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinones
• Alternative Parents: Cyclic ketones Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinone - Cyclic ketone - Ketone - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 113.160 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• 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