4,4-Difluorocyclohexanamine - ≥95% , CAS No.458566-84-2

CAS: 458566-84-2 Cat. No.: D303759 Fórmula: C₆H₁₁F₂N Peso molecular: 135.16 Número CE: 966-180-6

GRADE & PURITY ≥95%

Synonyms

(4,4-difluorocyclohexyl)amine | 4,4-Difluorocyclohexanamine | AM84937 | EN300-53464 | AKOS005145883 | BS-13105 | SY029834 | SB19900 | SCHEMBL359571 | 4,4-DIFLUOROCYCLOHEXYLAMINE | 4,4-difluoro-cyclohexylamine | BCP24484 | 4, 4-Difluoro-cyclohexylamine | 4

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

(4,4-difluorocyclohexyl)amine | 4,4-Difluorocyclohexanamine | AM84937 | EN300-53464 | AKOS005145883 | BS-13105 | SY029834 | SB19900 | SCHEMBL359571 | 4,4-DIFLUOROCYCLOHEXYLAMINE | 4,4-difluoro-cyclohexylamine | BCP24484 | 4, 4-Difluoro-cyclohexylamine | 4

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 504762763
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762763
• Sorrisos canónicos: C1CC(CCC1N)(F)F
• IUPAC Name: 4,4-difluorocyclohexan-1-amine
• InChIKey: MQOFXVWAFFJFJH-UHFFFAOYSA-N
• INCHI: 1S/C6H11F2N/c7-6(8)3-1-5(9)2-4-6/h5H,1-4,9H2
• SMILES isoméricas: C1CC(CCC1N)(F)F
• Peso molecular: 135.16
• Reaxy-Rn: 11407186
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11407186&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Cyclohexylamines Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Cyclohexylamine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Primary aliphatic amine - Amine - Alkyl fluoride - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen 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

Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de inflamação (°C): 40℃
• Ponto de ebulição (°C): 141℃
• Peso molecular: 135.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.086 Da
• Monoisotopic Mass: 135.086 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 93.200
• 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