4,5-Diaminopyridazin-3(2H)-one - ≥98% , CAS No.28682-73-7

CAS: 28682-73-7 Cat. No.: D192529 Formula: C₄H₆N₄O Peso molecolare: 126.12

GRADE & PURITY ≥98%

Synonyms

4,5-diamino-2H-pyridazin-3-one | AKOS006348025 | FT-0753975 | 4,5-Diamino-3-hydroxypyridazine | DIFNKLLRCNWYOC-UHFFFAOYSA-N | 4,5-Diamino-1H-pyridazin-6-one | AKOS005135844 | 3(2H)-Pyridazinone, 4,5-diamino- | diaminopyridazone | W17201 | MFCD11106731 | 4

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

4,5-diamino-2H-pyridazin-3-one | AKOS006348025 | FT-0753975 | 4,5-Diamino-3-hydroxypyridazine | DIFNKLLRCNWYOC-UHFFFAOYSA-N | 4,5-Diamino-1H-pyridazin-6-one | AKOS005135844 | 3(2H)-Pyridazinone, 4,5-diamino- | diaminopyridazone | W17201 | MFCD11106731 | 4

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1=NNC(=O)C(=C1N)N
• IUPAC Name: 4,5-diamino-1H-pyridazin-6-one
• InChIKey: DIFNKLLRCNWYOC-UHFFFAOYSA-N
• INCHI: 1S/C4H6N4O/c5-2-1-7-8-4(9)3(2)6/h1H,(H2,6,7)(H3,5,8,9)
• Isomeri SMILES: C1=NNC(=O)C(=C1N)N
• Peso molecolare: 126.12
• Reaxy-Rn: 742830
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742830&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridazinones
• Alternative Parents: Aminopyridazines Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridazinone - Aminopyridazine - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridazinones. These are compounds containing a pyridazine ring which bears a ketone.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 126.120 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 126.054 Da
• Monoisotopic Mass: 126.054 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 205.000
• 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