(3-Chlorophenyl)(piperidin-4-yl)methanone - ≥97% , CAS No.887354-02-1

CAS: 887354-02-1 Cat. No.: C195601 分子式: C₁₂H₁₄ClNO 分子量: 223.7

グレード＆純度 ≥97%

Synonyms

FS-3534 | DTXSID90394607 | (3-Chlorophenyl)(piperidin-4-yl)methanone | 4-(3-CHLOROBENZOYL)PIPERIDINE | 4-(3-chlorobenzoyl)-piperidine | FT-0664585 | AKOS015998818 | SCHEMBL953570 | (3-chlorophenyl)-piperidin-4-ylmethanone | FLHXKXFYBCXERX-UHFFFAOYSA-N | A

Storage

Room temperature

Shipped In

Normal

仕様

同義語

FS-3534 | DTXSID90394607 | (3-Chlorophenyl)(piperidin-4-yl)methanone | 4-(3-CHLOROBENZOYL)PIPERIDINE | 4-(3-chlorobenzoyl)-piperidine | FT-0664585 | AKOS015998818 | SCHEMBL953570 | (3-chlorophenyl)-piperidin-4-ylmethanone | FLHXKXFYBCXERX-UHFFFAOYSA-N | A

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

カノニカル・スマイル

C1CNCCC1C(=O)C2=CC(=CC=C2)Cl

IUPAC Name

(3-chlorophenyl)-piperidin-4-ylmethanone

InChIKey

FLHXKXFYBCXERX-UHFFFAOYSA-N

INCHI

1S/C12H14ClNO/c13-11-3-1-2-10(8-11)12(15)9-4-6-14-7-5-9/h1-3,8-9,14H,4-7H2

異性体SMILES

C1CNCCC1C(=O)C2=CC(=CC=C2)Cl

分子量

223.7

Reaxy-Rn

19370926

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19370926&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Piperidines Gamma-amino ketones Aryl chlorides Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Piperidine - Monocyclic benzene moiety - Gamma-aminoketone - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic oxide - Organohalogen compound - Organochloride - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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

化学的性質と物理的性質

• 分子量: 223.700 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.076 Da
• Monoisotopic Mass: 223.076 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 226.000
• 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

よくある質問

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 887354-02-1, the molecular formula is C12H14ClNO, and the molecular weight is 223.7 g/mol. InChIKey FLHXKXFYBCXERX-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.