1,2,3,6-Tetrahydro-4-phenylpyridine Hydrochloride - ≥98% , CAS No.43064-12-6

CAS: 43064-12-6 Cat. No.: T162101 Molecular Weight: 195.69 EC Number: 256-071-5 PubChem CID: 2723860

GRADE & PURITY ≥98%

Synonyms

4-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE HCL | Pyridine, 1,2,3,6-tetrahydro-4-phenyl-, hydrochloride | SB52621 | Pyridine, 1,2,3,6-tetrahydro-4-phenyl-, hydrochloride (1:1) | 1,2,3,6-Tetrahydro-4-phenylpyridine Hydrochloride | EINECS 256-071-5 | 4-phenyl-1,2,3

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-PHENYL-1, 2, 3, 6-TETRAHYDROPYRIDINE HCL | Pyridine, 1, 2, 3, 6-tetrahydro-4-phenyl-, hydrochloride | SB52621 | Pyridine, 1, 2, 3, 6-tetrahydro-4-phenyl-, hydrochloride (1:1) | 1, 2, 3, 6-Tetrahydro-4-phenylpyridine Hydrochloride | EINECS 256-071-5 | 4-phenyl-1, 2, 3

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760822
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760822
• Canonical Smiles: C1CNCC=C1C2=CC=CC=C2.Cl
• IUPAC Name: 4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride
• InChIKey: POGWXTJNUCZEPR-UHFFFAOYSA-N
• INCHI: 1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H
• Isomeric SMILES: C1CNCC=C1C2=CC=CC=C2.Cl
• WGK Germany: 3
• PubChem CID: 2723860
• Molecular Weight: 195.69
• Reaxy-Rn: 3699885

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydropyridines
• Alternative Parents: Benzene and substituted derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenoid - Hydropyridine - Monocyclic benzene moiety - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydropyridines. These are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds.).
• 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

Associated Targets(Human)

HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

Discover Target: HTR2C

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 203 °C
• Molecular Weight: 195.690 g/mol
• Hydrogen Bond Donor Count: 2
• 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: 166.000
• 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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