3,6-Dichloropyridazin-4-amine - ≥98% , CAS No.823-58-5

CAS: 823-58-5 Cat. No.: D186768 Molecular Weight: 164 EC Number: 831-152-3

GRADE & PURITY ≥98%

Synonyms

3,6-dichloropyridazin-4-amine|823-58-5|4-Amino-3,6-dichloropyridazine|3,6-DICHLORO-4-AMINOPYRIDAZINE|MFCD01647253|MLS000756377|4-PYRIDAZINAMINE, 3,6-DICHLORO-|NSC170664|SCHEMBL103851|LCZC3115|CHEMBL1371683|3,6-dichloropyridazin-4-ylamine|AMY2996|DTXSID403

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3, 6-dichloropyridazin-4-amine | 823-58-5 | 4-Amino-3, 6-dichloropyridazine | 3, 6-DICHLORO-4-AMINOPYRIDAZINE | MFCD01647253 | MLS000756377 | 4-PYRIDAZINAMINE, 3, 6-DICHLORO- | NSC170664 | SCHEMBL103851 | LCZC3115 | CHEMBL1371683 | 3, 6-dichloropyridazin-4-ylamine | AMY2996 | DTXSID403

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758379
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758379
• Canonical Smiles: C1=C(C(=NN=C1Cl)Cl)N
• IUPAC Name: 3,6-dichloropyridazin-4-amine
• InChIKey: HODYDVHWWMTUEL-UHFFFAOYSA-N
• INCHI: 1S/C4H3Cl2N3/c5-3-1-2(7)4(6)9-8-3/h1H,(H2,7,8)
• Isomeric SMILES: C1=C(C(=NN=C1Cl)Cl)N
• Molecular Weight: 164
• Reaxy-Rn: 124480
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124480&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: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen 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

Associated Targets(Human)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 163.990 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.97 Da
• Monoisotopic Mass: 162.97 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.800
• 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