1-(4-bromofenil)piperidin-4-one - ≥95% , CAS No.154913-23-2

CAS: 154913-23-2 Cat. No.: B181742 Formula: C₁₁H₁₂BrNO Peso molecolare: 254.1

GRADE & PURITY ≥95%

Synonyms

4-Piperidinone, 1-(4-bromophenyl)- | SB43206 | DTXSID30640751 | SCHEMBL578474 | MFCD09930458 | 1-(4-Bromophenyl)-4-piperidinone | FBZGTFCMSGXCRE-UHFFFAOYSA-N | 1-(4-BROMOPHENYL)PIPERIDIN-4-ONE | SY022356 | BS-21541 | AKOS000170728

Storage

Temperatura ambiente

Shipped In

Normale

Specifications

Sinonimi

4-Piperidinone, 1-(4-bromophenyl)- | SB43206 | DTXSID30640751 | SCHEMBL578474 | MFCD09930458 | 1-(4-Bromophenyl)-4-piperidinone | FBZGTFCMSGXCRE-UHFFFAOYSA-N | 1-(4-BROMOPHENYL)PIPERIDIN-4-ONE | SY022356 | BS-21541 | AKOS000170728

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1CN(CCC1=O)C2=CC=C(C=C2)Br

IUPAC Name

1-(4-bromophenyl)piperidin-4-one

InChIKey

FBZGTFCMSGXCRE-UHFFFAOYSA-N

INCHI

1S/C11H12BrNO/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4H,5-8H2

Isomeri SMILES

C1CN(CCC1=O)C2=CC=C(C=C2)Br

Peso molecolare

254.1

Reaxy-Rn

6596671

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6596671&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Piperidinones Bromobenzenes Aryl bromides Cyclic ketones Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Piperidinone - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Benzenoid - Cyclic ketone - Tertiary amine - Ketone - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 254.120 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 253.01 Da
• Monoisotopic Mass: 253.01 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 201.000
• 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

Domande frequenti

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 154913-23-2, the molecular formula is C11H12BrNO, and the molecular weight is 254.1 g/mol. InChIKey FBZGTFCMSGXCRE-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.