N-(6-Chloropyridazin-3-yl)acetamide - ≥98% , CAS No.14959-31-0

CAS: 14959-31-0 Cat. No.: N587337 Molecular Weight: 171.59

GRADE & PURITY ≥98%

Synonyms

UNQTYWWIVXWOJT-UHFFFAOYSA-N | MFCD09835313 | AMY1770 | J-523136 | A3286 | F52718 | Acetamide, N-(6-chloro-3-pyridazinyl)- | 3-Acetamido-6-chloropyridazine | N-(6--chloro-3-pyridazinyl)acetamide | N-(6-Chloro-3-pyridazinyl)acetamide | SCHEMBL3152711 | SS-4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

UNQTYWWIVXWOJT-UHFFFAOYSA-N | MFCD09835313 | AMY1770 | J-523136 | A3286 | F52718 | Acetamide, N-(6-chloro-3-pyridazinyl)- | 3-Acetamido-6-chloropyridazine | N-(6--chloro-3-pyridazinyl)acetamide | N-(6-Chloro-3-pyridazinyl)acetamide | SCHEMBL3152711 | SS-4

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=O)NC1=NN=C(C=C1)Cl
• IUPAC Name: N-(6-chloropyridazin-3-yl)acetamide
• InChIKey: UNQTYWWIVXWOJT-UHFFFAOYSA-N
• INCHI: 1S/C6H6ClN3O/c1-4(11)8-6-3-2-5(7)9-10-6/h2-3H,1H3,(H,8,10,11)
• Isomeric SMILES: CC(=O)NC1=NN=C(C=C1)Cl
• Molecular Weight: 171.59
• Reaxy-Rn: 609118
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=609118&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acetylarylamines
• Alternative Parents: Pyridazines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acetylarylamine - Aryl chloride - Aryl halide - Pyridazine - Imidolactam - Heteroaromatic compound - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acetylarylamines. These are acetamides where one or more amide hydrogens is substituted by an aryl group.
• 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

Chemical and Physical Properties

• Molecular Weight: 171.580 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.02 Da
• Monoisotopic Mass: 171.02 Da
• Topological Polar Surface Area: 54.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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