2-Hydrazono-6-methyl-1,2-dihydropyridine hydrochloride - ≥95% , CAS No.104408-25-5

CAS: 104408-25-5 Cat. No.: H1039870 Molecular Weight: 159.62 PubChem CID: 50998147

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1=NC(=CC=C1)NN.Cl
• IUPAC Name: (6-methylpyridin-2-yl)hydrazine;hydrochloride
• InChIKey: QLJACZBEDWORHA-UHFFFAOYSA-N
• INCHI: 1S/C6H9N3.ClH/c1-5-3-2-4-6(8-5)9-7;/h2-4H,7H2,1H3,(H,8,9);1H
• Isomeric SMILES: CC1=NC(=CC=C1)NN.Cl
• PubChem CID: 50998147
• Molecular Weight: 159.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Imidolactams Heteroaromatic compounds Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Imidolactam - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Hydrazine derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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

• Melt Point(°C): 183-196°C
• Molecular Weight: 159.620 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 159.056 Da
• Monoisotopic Mass: 159.056 Da
• Topological Polar Surface Area: 50.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 84.400
• 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: 2

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