4-(4-Chlorophenyl)piperidine - ≥97% , CAS No.26905-02-2

CAS: 26905-02-2 Cat. No.: C192443 Formula: C₁₁H₁₄ClN Molecular Weight: 195.69 EC Number: 833-592-1

GRADE & PURITY ≥97%

Synonyms

(1-AMINOCYCLOHEXYL)METHYLAMINEDIHYDROCHLORIDE | VKQHTSSNSJIMAL-UHFFFAOYSA-N | BDBM50379812 | Q-103005 | AS-37356 | MFCD03077010 | 4-(p-chlorophenyl)piperidine | DTXSID70360941 | 4-(4chlorophenyl)piperidine | 4-(4-chlorophenyl)piperidine | 4-(4-CHLORO-PHEN

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(1-AMINOCYCLOHEXYL)METHYLAMINEDIHYDROCHLORIDE | VKQHTSSNSJIMAL-UHFFFAOYSA-N | BDBM50379812 | Q-103005 | AS-37356 | MFCD03077010 | 4-(p-chlorophenyl)piperidine | DTXSID70360941 | 4-(4chlorophenyl)piperidine | 4-(4-chlorophenyl)piperidine | 4-(4-CHLORO-PHEN

Specifications & Purity

≥97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504760414
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760414
• Canonical Smiles: C1CNCCC1C2=CC=C(C=C2)Cl
• IUPAC Name: 4-(4-chlorophenyl)piperidine
• InChIKey: VKQHTSSNSJIMAL-UHFFFAOYSA-N
• INCHI: 1S/C11H14ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
• Isomeric SMILES: C1CNCCC1C2=CC=C(C=C2)Cl
• Alternate CAS: 6652-06-8
• Molecular Weight: 195.69
• Reaxy-Rn: 1241294
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1241294&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Chlorobenzenes Aralkylamines Aryl chlorides Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary aliphatic amine - Secondary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive
• Boil Point(°C): 160 °C/10 mmHg
• Melt Point(°C): 206 °C
• Molecular Weight: 195.690 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 195.081 Da
• Monoisotopic Mass: 195.081 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 146.000
• 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

Frequently Asked 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 26905-02-2, the molecular formula is C11H14ClN, and the molecular weight is 195.69 g/mol. InChIKey VKQHTSSNSJIMAL-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.