1,2,3,6-Tetrahydropyridine hydrochloride - ≥98% , CAS No.18513-79-6

CAS: 18513-79-6 Cat. No.: T168116 Molecular Weight: 119.59 EC Number: 623-201-0

GRADE & PURITY ≥98%

Synonyms

DTXSID30583715 | W-206331 | DS-17478 | 1,2,3,6-Tetrahydropyridine hydrochloride, 98% | PYRIDINE, 1,2,3,6-TETRAHYDRO-, HYDROCHLORIDE | SCHEMBL3253492 | 1,2,3,6-Tetrahydropyridine--hydrogen chloride (1/1) | MFCD00216642 | EN300-128207 | FT-0684843 | 1,2,3,6

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

1,2,3,6-Tetrahydropyridine hydrochloride is a heterocyclic building block, useful in chemical synthesis.

Specifications

Synonyms

DTXSID30583715 | W-206331 | DS-17478 | 1, 2, 3, 6-Tetrahydropyridine hydrochloride, 98% | PYRIDINE, 1, 2, 3, 6-TETRAHYDRO-, HYDROCHLORIDE | SCHEMBL3253492 | 1, 2, 3, 6-Tetrahydropyridine--hydrogen chloride (1/1) | MFCD00216642 | EN300-128207 | FT-0684843 | 1, 2, 3, 6

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 504768198
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768198
• Canonical Smiles: C1CNCC=C1.Cl
• IUPAC Name: 1,2,3,6-tetrahydropyridine;hydrochloride
• InChIKey: AFCYWWIZGOUXCF-UHFFFAOYSA-N
• INCHI: 1S/C5H9N.ClH/c1-2-4-6-5-3-1;/h1-2,6H,3-5H2;1H
• Isomeric SMILES: C1CNCC=C1.Cl
• WGK Germany: 3
• Molecular Weight: 119.59
• Reaxy-Rn: 3676816
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3676816&ln=

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: Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hydropyridine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic 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

Chemical and Physical Properties

• Melt Point(°C): 189-191 °C
• Molecular Weight: 119.590 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 119.05 Da
• Monoisotopic Mass: 119.05 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 57.000
• 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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