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

CAS: 219635-89-9 Cat. No.: I168671 Peso molecular: 289.12 Número EC: 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

Sinónimos

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 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504768602
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768602
• Sonrisas canónicas: 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
• Isómeros SMILES: C1CN(CCN1)C2=NC=C(C=C2)I
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 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