[4-(difluoromethyl)phenyl]methanamine;hydrochloride - ≥97% , CAS No.55805-28-2

CAS: 55805-28-2 Cat. No.: M634110 EC Number: 974-480-3 PubChem CID: 71306164

GRADE & PURITY ≥97%

Synonyms

55805-28-2 | 4-Difluoromethyl-benzylamine hydrochloride | [4-(difluoromethyl)phenyl]methanamine | hydrochloride | 4-Difluoromethyl-benzylamine HCl | (4-(Difluoromethyl)phenyl)methanamine hydrochloride | 1-[4-(DIFLUOROMETHYL)PHENYL]METHANAMINE HYDROCHLORID

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

55805-28-2 | 4-Difluoromethyl-benzylamine hydrochloride | [4-(difluoromethyl)phenyl]methanamine | hydrochloride | 4-Difluoromethyl-benzylamine HCl | (4-(Difluoromethyl)phenyl)methanamine hydrochloride | 1-[4-(DIFLUOROMETHYL)PHENYL]METHANAMINE HYDROCHLORID

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CN)C(F)F.Cl
• IUPAC Name: [4-(difluoromethyl)phenyl]methanamine;hydrochloride
• InChIKey: JVRJDURYHKFVTL-UHFFFAOYSA-N
• INCHI: 1S/C8H9F2N.ClH/c9-8(10)7-3-1-6(5-11)2-4-7;/h1-4,8H,5,11H2;1H
• Isomeric SMILES: C1=CC(=CC=C1CN)C(F)F.Cl
• PubChem CID: 71306164

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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: 193.620 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.047 Da
• Monoisotopic Mass: 193.047 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 109.000
• 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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