Pseudopelletierine - ≥97% , CAS No.552-70-5

CAS: 552-70-5 Cat. No.: P465324 Formule: C₉H₁₅NO Poids moléculaire: 153.22 Beilstein Registry Number: 1525218 Numéro CE: 209-021-1 PubChem CID: 11096

GRADE & PURITY ≥97%

Synonyms

NCGC00163612-01 | 9-Methyl-9-azabicyclo(3.3.1)nonan-3-one | AKOS009156577 | P2648 | RHWSKVCZXBAWLZ-UHFFFAOYSA- | Prestwick2_000625 | Pseudopelletrierin | SB10982 | 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one # | Q408775 | 9-methyl-9-aza-bicyclo[3.3.1]nonan-3-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

NCGC00163612-01 | 9-Methyl-9-azabicyclo(3.3.1)nonan-3-one | AKOS009156577 | P2648 | RHWSKVCZXBAWLZ-UHFFFAOYSA- | Prestwick2_000625 | Pseudopelletrierin | SB10982 | 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one # | Q408775 | 9-methyl-9-aza-bicyclo[3.3.1]nonan-3-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504752059
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752059
• Sourires canoniques: CN1C2CCCC1CC(=O)C2
• IUPAC Name: 9-methyl-9-azabicyclo[3.3.1]nonan-3-one
• InChIKey: RHWSKVCZXBAWLZ-UHFFFAOYSA-N
• INCHI: 1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3
• Isomères SMILES: CN1C2CCCC1CC(=O)C2
• WGK Allemagne: 3
• RTECS: CL5593500
• PubChem CID: 11096
• Poids moléculaire: 153.22
• Beilstein: 1525218

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 heteropolycyclic 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 heteropolycyclic compound
• Description: 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: Piperidine alkaloids - Tropane alkaloids

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 153.220 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• 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: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 552-70-5, the molecular formula is C9H15NO, and the molecular weight is 153.22 g/mol. InChIKey RHWSKVCZXBAWLZ-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.