(6-(trifluoromethyl)pyridin-2-yl)methanamine hydrochloride - ≥95% , CAS No.1185022-87-0

CAS: 1185022-87-0 Cat. No.: P729147 Peso molecular: 212.6 Número EC: 839-018-6 PubChem CID: 17998868

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=NC(=C1)C(F)(F)F)CN.Cl
• IUPAC Name: [6-(trifluoromethyl)pyridin-2-yl]methanamine;hydrochloride
• InChIKey: AOKKQPXZPSPBEZ-UHFFFAOYSA-N
• INCHI: 1S/C7H7F3N2.ClH/c8-7(9,10)6-3-1-2-5(4-11)12-6;/h1-3H,4,11H2;1H
• Isómeros SMILES: C1=CC(=NC(=C1)C(F)(F)F)CN.Cl
• CAS alternativo: 1185022-87-0
• PubChem CID: 17998868
• Peso molecular: 212.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass 2-pyridylmethylamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: 2-pyridylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-substituted-2-pyridinylmethylamines
• Alternative Parents: Aralkylamines Heteroaromatic compounds Azacyclic compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 6-substituted-2-pyridinylmethylamine - Aralkylamine - Heteroaromatic compound - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Hydrochloride - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 6-substituted-2-pyridinylmethylamines. These are aromatic heterocyclic compounds contaning a pyridine ring which is substituted at the 2-position with a methylamine, and at the 6-position with any non-hydrogen atom.
• 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

Propiedades químicas y físicas

• Peso molecular: 212.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 212.033 Da
• Monoisotopic Mass: 212.033 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 146.000
• 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: 2

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