1-[5-(TrifluoroMethyl)-2-pyridinyl]piperazine - ≥98% , CAS No.132834-58-3

CAS: 132834-58-3 Cat. No.: T419960 Peso molecular: 231.22 Número EC: 670-979-2 PubChem CID: 667618

GRADE & PURITY ≥98%

Synonyms

132834-58-3|1-[5-(trifluoromethyl)pyridin-2-yl]piperazine|1-(5-(Trifluoromethyl)pyridin-2-yl)piperazine|1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine|1-[5-(trifluoromethyl)pyrid-2-yl]piperazine|1-[5-(trifluoromethyl)pyridine-2-yl]piperazine|1-(5-trifluoro

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

132834-58-3 | 1-[5-(trifluoromethyl)pyridin-2-yl]piperazine | 1-(5-(Trifluoromethyl)pyridin-2-yl)piperazine | 1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine | 1-[5-(trifluoromethyl)pyrid-2-yl]piperazine | 1-[5-(trifluoromethyl)pyridine-2-yl]piperazine | 1-(5-trifluoro

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759810
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759810
• Sonrisas canónicas: C1CN(CCN1)C2=NC=C(C=C2)C(F)(F)F
• IUPAC Name: 1-[5-(trifluoromethyl)pyridin-2-yl]piperazine
• InChIKey: BNMSJUIMZULLAS-UHFFFAOYSA-N
• INCHI: 1S/C10H12F3N3/c11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
• Isómeros SMILES: C1CN(CCN1)C2=NC=C(C=C2)C(F)(F)F
• PubChem CID: 667618
• Peso molecular: 231.22

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 Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Amine - 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

• Peso molecular: 231.220 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 231.098 Da
• Monoisotopic Mass: 231.098 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 226.000
• 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

Referencias

1. Yu-Yin Wang, Ying Feng, Xiao-Tong Liu, Lin-Ying Cao, Qing-Ying Xu, Hao Qu, Tong Zhao, Yunyun Li, Guoming Lin.  (2024)  Organic–Inorganic Hybrid Halide X-ray Scintillator with High Antiwater Stability.  INORGANIC CHEMISTRY,      [PMID:39151039] [10.1021/acs.inorgchem.4c02066]