4-(4-Chlorobenzyl)piperidine hydrochloride - ≥95% , CAS No.36968-94-2

CAS: 36968-94-2 Cat. No.: C347742 Molecular Weight: 246.18 EC Number: 802-185-0 PubChem CID: 17039566

GRADE & PURITY ≥95%

Synonyms

4-[(4-chlorophenyl)methyl]piperidine;hydrochloride | 4-(4-Chlorobenzyl)piperidine hydrochloride | F9995-2608 | MFCD03840138 | A923604 | AKOS015846244 | 4-(4-CHLOROBENZYL)PIPERIDINE HCL | 4-[(4-Chlorophenyl)methyl]piperidine--hydrogen chloride (1/1) | SCHE

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4-[(4-chlorophenyl)methyl]piperidine;hydrochloride | 4-(4-Chlorobenzyl)piperidine hydrochloride | F9995-2608 | MFCD03840138 | A923604 | AKOS015846244 | 4-(4-CHLOROBENZYL)PIPERIDINE HCL | 4-[(4-Chlorophenyl)methyl]piperidine--hydrogen chloride (1/1) | SCHE

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504768549
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768549
• Canonical Smiles: C1CNCCC1CC2=CC=C(C=C2)Cl.Cl
• IUPAC Name: 4-[(4-chlorophenyl)methyl]piperidine;hydrochloride
• InChIKey: CRYGKHFRQLLVHQ-UHFFFAOYSA-N
• INCHI: 1S/C12H16ClN.ClH/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11;/h1-4,11,14H,5-9H2;1H
• Isomeric SMILES: C1CNCCC1CC2=CC=C(C=C2)Cl.Cl
• PubChem CID: 17039566
• Molecular Weight: 246.18

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-benzylpiperidines
• Alternative Parents: Chlorobenzenes Aralkylamines Aryl chlorides Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-benzylpiperidine - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azacycle - Secondary amine - Secondary aliphatic amine - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
• 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

• Refractive Index: n20D1.54 (Predicted)
• Boil Point(°C): 343.7° C at 760 mmHg
• Molecular Weight: 246.170 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 245.074 Da
• Monoisotopic Mass: 245.074 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 158.000
• 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: 2

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