3,6-Di(4-pyridyl)-1,2,4,5-tetrazine - ≥95% , CAS No.57654-36-1

CAS: 57654-36-1 Cat. No.: D155261 Peso molecular: 236.24 Beilstein Registry Number: 26(5)19,377 Número EC: 680-180-0

GRADE & PURITY ≥95%

Synonyms

3,6-dipyridin-4-yl-1,2,4,5-tetrazine | bis(pyridin-4-yl)-1,2,4,5-tetrazine | A869624 | AKOS027327448 | AS-63622 | MQSMIIJCRWDMDL-UHFFFAOYSA-N | D3211 | 2,5-Di-(4-pyridyl)-s-tetrazine | DTXSID40407211 | 3,6-Bis(4-Pyridyl)-S-Tetrazine | 3,6-di(pyridin-4-yl)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

3, 6-dipyridin-4-yl-1, 2, 4, 5-tetrazine | bis(pyridin-4-yl)-1, 2, 4, 5-tetrazine | A869624 | AKOS027327448 | AS-63622 | MQSMIIJCRWDMDL-UHFFFAOYSA-N | D3211 | 2, 5-Di-(4-pyridyl)-s-tetrazine | DTXSID40407211 | 3, 6-Bis(4-Pyridyl)-S-Tetrazine | 3, 6-di(pyridin-4-yl)

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488195038
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195038
• Sonrisas canónicas: C1=CN=CC=C1C2=NN=C(N=N2)C3=CC=NC=C3
• IUPAC Name: 3,6-dipyridin-4-yl-1,2,4,5-tetrazine
• InChIKey: MQSMIIJCRWDMDL-UHFFFAOYSA-N
• INCHI: 1S/C12H8N6/c1-5-13-6-2-9(1)11-15-17-12(18-16-11)10-3-7-14-8-4-10/h1-8H
• Isómeros SMILES: C1=CN=CC=C1C2=NN=C(N=N2)C3=CC=NC=C3
• Peso molecular: 236.24
• Beilstein: 26(5)19,377
• Reaxy-Rn: 208748
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=208748&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrazines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Tetrazine - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetrazines. These are organic compounds containing a tetrazine ring, which is a six-membered aromatic heterocycle made up of four nitrogen atoms and a two carbon atoms.
• 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

• Punto de fusión (°C): 257 °C
• Peso molecular: 236.230 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 236.081 Da
• Monoisotopic Mass: 236.081 Da
• Topological Polar Surface Area: 77.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 215.000
• 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