1，2，4，5-Tetrazine-3，6-diamine - ≥98% , CAS No.19617-90-4

CAS: 19617-90-4 Cat. No.: T697120 Peso molecular: 112.09 Número EC: 893-819-5 PubChem CID: 283379

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Propiedades del producto

• ALogP: -2.1

Nombres e identificadores

• Sonrisas canónicas: C1(=NN=C(N=N1)N)N
• IUPAC Name: 1,2,4,5-tetrazine-3,6-diamine
• InChIKey: JOYXTMYVRNWHNJ-UHFFFAOYSA-N
• INCHI: 1S/C2H4N6/c3-1-5-7-2(4)8-6-1/h(H2,3,5,6)(H2,4,7,8)
• Isómeros SMILES: C1(=NN=C(N=N1)N)N
• PubChem CID: 283379
• Peso molecular: 112.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrazines
      • Subclass Aminotetrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrazines
• Subclass: Aminotetrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotetrazines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminotetrazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminotetrazines. These are compounds containing an amine group attached to a tetrazine. Tetrazine 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

• Peso molecular: 112.090 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 112.05 Da
• Monoisotopic Mass: 112.05 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 54.900
• 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