1-(5-Iodo-pyridin-2-yl)-piperazine - ≥95% , CAS No.219635-89-9

CAS: 219635-89-9 Cat. No.: I168671 Molecular Weight: 289.12 EC Number: 678-825-6

GRADE & PURITY ≥95%

Synonyms

1-(5-iodo-2-pyridinyl)piperazine | 5-METHYL-3-(METHYLTHIO)-1,4-DIPHENYL-1H-1,2,4-TRIAZOLIUMIODIDE | DTXSID60590311 | 1-(5-Iodo-2-pyridyl)piperazine | 1-(5-iodanylpyridin-2-yl)piperazine | AKOS005256992 | MFCD04039867 | 1-(5-Iodo-pyridin-2-yl)piperazine |

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

1-(5-iodo-2-pyridinyl)piperazine | 5-METHYL-3-(METHYLTHIO)-1, 4-DIPHENYL-1H-1, 2, 4-TRIAZOLIUMIODIDE | DTXSID60590311 | 1-(5-Iodo-2-pyridyl)piperazine | 1-(5-iodanylpyridin-2-yl)piperazine | AKOS005256992 | MFCD04039867 | 1-(5-Iodo-pyridin-2-yl)piperazine |

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light

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: 504768602
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768602
• Canonical Smiles: C1CN(CCN1)C2=NC=C(C=C2)I
• IUPAC Name: 1-(5-iodopyridin-2-yl)piperazine
• InChIKey: MKKJIJFTSAYHBW-UHFFFAOYSA-N
• INCHI: 1S/C9H12IN3/c10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
• Isomeric SMILES: C1CN(CCN1)C2=NC=C(C=C2)I
• WGK Germany: 3
• Molecular Weight: 289.12
• Reaxy-Rn: 11006878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11006878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aminopyridines and derivatives Imidolactams Aryl iodides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Pyridinylpiperazine - Dialkylarylamine - Aminopyridine - Aryl halide - Aryl iodide - Pyridine - Imidolactam - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Organoiodide - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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

• Sensitivity: light sensitive
• Molecular Weight: 289.120 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 289.008 Da
• Monoisotopic Mass: 289.008 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 159.000
• 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