3-[(2,5-Dichlorophenoxy)methyl]piperidine , CAS No.946744-03-2

CAS: 946744-03-2 Cat. No.: D1227029 Summenformel: C₁₂H₁₅Cl₂NO Molekulargewicht: 260.16

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Specifications

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Namen und Kennungen

• Kanonisches Lächeln: C1CC(CNC1)COC2=C(C=CC(=C2)Cl)Cl
• IUPAC Name: 3-[(2,5-dichlorophenoxy)methyl]piperidine
• InChIKey: GGTVHIXACSWDAZ-UHFFFAOYSA-N
• INCHI: 1S/C12H15Cl2NO/c13-10-3-4-11(14)12(6-10)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2
• Molekulargewicht: 260.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Piperidines Aryl chlorides Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - 1,4-dichlorobenzene - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Piperidine - Secondary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Secondary amine - Organohalogen compound - Amine - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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: 260.160 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 259.053 Da
• Monoisotopic Mass: 259.053 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 215.000
• 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

Häufig gestellte Fragen

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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 946744-03-2, the molecular formula is C12H15Cl2NO, and the molecular weight is 260.16 g/mol. InChIKey GGTVHIXACSWDAZ-UHFFFAOYSA-N.

What documentation is provided?

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How should this product be stored?

Store at room temperature.