3-Aminopyridazine - ≥98%(GC) , CAS No.5469-70-5

CAS: 5469-70-5 Cat. No.: A123467 Peso molecular: 95.1 Beilstein Registry Number: 25(5)10,3 Número EC: 639-365-1

GRADE & PURITY ≥98%(GC)

Synonyms

InChI=1/C4H5N3/c5-4-2-1-3-6-7-4/h1-3H,(H2,5,7) | NSC25228 | NSC-25228 | CB08127 | pyridazin-3-amine | pyridazin-3-ylamine | LETVJWLLIMJADE-UHFFFAOYSA-N | BP-21190 | AM20100349 | imino-pyridazine | YQP8QA3E57 | XGV | (Pyridazin-3-yl)amine | BCP22422 | 3-PY

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

InChI=1/C4H5N3/c5-4-2-1-3-6-7-4/h1-3H, (H2, 5, 7) | NSC25228 | NSC-25228 | CB08127 | pyridazin-3-amine | pyridazin-3-ylamine | LETVJWLLIMJADE-UHFFFAOYSA-N | BP-21190 | AM20100349 | imino-pyridazine | YQP8QA3E57 | XGV | (Pyridazin-3-yl)amine | BCP22422 | 3-PY

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488188811
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188811
• Sonrisas canónicas: C1=CC(=NN=C1)N
• IUPAC Name: pyridazin-3-amine
• InChIKey: LETVJWLLIMJADE-UHFFFAOYSA-N
• INCHI: 1S/C4H5N3/c5-4-2-1-3-6-7-4/h1-3H,(H2,5,7)
• Isómeros SMILES: C1=CC(=NN=C1)N
• WGK Alemania: 3
• Peso molecular: 95.1
• Beilstein: 25(5)10,3
• Reaxy-Rn: 107024
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107024&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridazines
• Alternative Parents: Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridazine - Imidolactam - 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 aminopyridazines. These are organic compounds containing an amino group attached to a pyridazine 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 171°C
• Peso molecular: 95.100 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 95.0483 Da
• Monoisotopic Mass: 95.0483 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 7
• 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

Referencias

1. Xiaohui Zhan, Yue Zhao, Yanping Sun, Chen Lei, He Wang, Huixiang Shi.  (2022)  Pyridazine doped g-C3N4 with nitrogen defects and spongy structure for efficient tetracycline photodegradation and photocatalytic H2 evolution.  CHEMOSPHERE,      [PMID:36002059] [10.1016/j.chemosphere.2022.136087]