3-(4-Chlorophenyl)piperidine - Reagent grade , CAS No.55989-13-4

CAS: 55989-13-4 Cat. No.: C479179 Formule: C₁₁H₁₄ClN Poids moléculaire: 195.69 Numéro CE: 107-176-9

QUALITÉ & PURETÉ Reagent Grade

Synonyms

DTXSID40606126 | SB41382 | MFCD09055235 | EN300-1982798 | PB48254 | (R)-3-(4-Chlorophenyl)piperidine | 1335689-11-6 | MFCD20458086 | GLXKIKPTKUQMAP-UHFFFAOYSA-N | AT37770 | 3-(4-Chlorophenyl)piperidine, AldrichCPR | SY343859 | 3-(4-Chlorophenyl)piperidine

Storage

Room temperature

Spécifications

Synonymes

DTXSID40606126 | SB41382 | MFCD09055235 | EN300-1982798 | PB48254 | (R)-3-(4-Chlorophenyl)piperidine | 1335689-11-6 | MFCD20458086 | GLXKIKPTKUQMAP-UHFFFAOYSA-N | AT37770 | 3-(4-Chlorophenyl)piperidine, AldrichCPR | SY343859 | 3-(4-Chlorophenyl)piperidine

Spécifications et pureté

Reagent grade

Informations juridiques

Product of ChemBridge Corp.

Conditions de stockage de stockage

Room temperature

Grade

Reagent Grade

Noms et identifiants

Sourires canoniques

C1CC(CNC1)C2=CC=C(C=C2)Cl

IUPAC Name

3-(4-chlorophenyl)piperidine

InChIKey

GLXKIKPTKUQMAP-UHFFFAOYSA-N

INCHI

1S/C11H14ClN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10,13H,1-2,7-8H2

Isomères SMILES

C1CC(CNC1)C2=CC=C(C=C2)Cl

Poids moléculaire

195.69

Reaxy-Rn

15515810

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15515810&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: Chlorobenzenes Aralkylamines Aryl chlorides Dialkylamines Azacyclic 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 - Azacycle - Secondary amine - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - 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

Propriétés chimiques et physiques

• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Poids moléculaire: 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: 152.000
• 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