(4-(Trifluoromethyl)pyridin-2-yl)methanamine hydrochloride - ≥96% , CAS No.1005515-26-3

CAS: 1005515-26-3 Cat. No.: T189285 Molecular Weight: 212.60

GRADE & PURITY ≥96%

Synonyms

(4-(Trifluoromethyl)pyridin-2-yl)methanaminehydrochloride | DS-3023 | AKOS005762854 | C-(4-Trifluoromethyl-pyridin-2-yl)methylamine hydrochloride | AMY1866 | (4-Trifluoromethyl-pyridin-2-yl)methylamine hydrochloride | C-(4-Trifluoromethyl-pyridin-2-yl)met

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(4-(Trifluoromethyl)pyridin-2-yl)methanaminehydrochloride | DS-3023 | AKOS005762854 | C-(4-Trifluoromethyl-pyridin-2-yl)methylamine hydrochloride | AMY1866 | (4-Trifluoromethyl-pyridin-2-yl)methylamine hydrochloride | C-(4-Trifluoromethyl-pyridin-2-yl)met

Specifications & Purity

≥96%

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

≥96%

Names and Identifiers

• Canonical Smiles: C1=CN=C(C=C1C(F)(F)F)CN.Cl
• IUPAC Name: [4-(trifluoromethyl)pyridin-2-yl]methanamine;hydrochloride
• InChIKey: QOXWXPOCBJOZMA-UHFFFAOYSA-N
• INCHI: 1S/C7H7F3N2.ClH/c8-7(9,10)5-1-2-12-6(3-5)4-11;/h1-3H,4,11H2;1H
• Isomeric SMILES: C1=CN=C(C=C1C(F)(F)F)CN.Cl
• Molecular Weight: 212.60

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: 2-pyridylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-pyridylmethylamines
• Alternative Parents: Aralkylamines Heteroaromatic compounds Azacyclic compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyridylmethylamine - 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
• Description: This compound belongs to the class of organic compounds known as 2-pyridylmethylamines. These are aromatic heterocyclic compounds contaning a pyridine ring which is substituted at the 2-position with a methylamine.
• 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: 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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