1-(Cyclopropylmethyl)piperidin-4-one - ≥95% , CAS No.49682-96-4

CAS: 49682-96-4 Cat. No.: C193582 Summenformel: C₉H₁₅NO Molekulargewicht: 153.22 EG-Nummer: 971-957-8

GRADE & PURITY ≥95%

Synonyms

Z295881936 | ;1-(Cyclopropylmethyl);1-(Cyclopropylmethyl)-4-piperidinone | A871750 | DTXSID90592404 | E81394 | SCHEMBL1817532 | ZBA68296 | 1-(Cyclopropylmethyl)-4-piperidinone | AKOS000180279 | MFCD09937858 | WEGGUCATBXAQDP-UHFFFAOYSA-N | 4-Piperidinone,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Z295881936 | ;1-(Cyclopropylmethyl);1-(Cyclopropylmethyl)-4-piperidinone | A871750 | DTXSID90592404 | E81394 | SCHEMBL1817532 | ZBA68296 | 1-(Cyclopropylmethyl)-4-piperidinone | AKOS000180279 | MFCD09937858 | WEGGUCATBXAQDP-UHFFFAOYSA-N | 4-Piperidinone,

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1CC1CN2CCC(=O)CC2
• IUPAC Name: 1-(cyclopropylmethyl)piperidin-4-one
• InChIKey: WEGGUCATBXAQDP-UHFFFAOYSA-N
• INCHI: 1S/C9H15NO/c11-9-3-5-10(6-4-9)7-8-1-2-8/h8H,1-7H2
• Isomere SMILES: C1CC1CN2CCC(=O)CC2
• Molekulargewicht: 153.22
• Reaxy-Rn: 1524731
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524731&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: Trialkylamines Cyclic ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinone - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - 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: 153.220 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 153.115 Da
• Monoisotopic Mass: 153.115 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% 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 49682-96-4, the molecular formula is C9H15NO, and the molecular weight is 153.22 g/mol. InChIKey WEGGUCATBXAQDP-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.