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

CAS: 5469-70-5 Cat. No.: A123467 Molecular Weight: 95.1 Beilstein Registry Number: 25(5)10,3 EC Number: 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

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

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488188811
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188811
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC(=NN=C1)N
• WGK Germany: 3
• Molecular Weight: 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
    • Class Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Melt Point(°C): 171°C
• Molecular Weight: 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

References

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]