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

CAS: 458566-84-2 Cat. No.: D303759 分子式: C₆H₁₁F₂N 分子量: 135.16 EC番号: 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

同義語

(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

仕様と純度

≥95%

保管条件

Store at 2-8°C,Desiccated

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• パブケム・シド: 504762763
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504762763
• カノニカル・スマイル: 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
• 異性体SMILES: C1CC(CCC1N)(F)F
• 分子量: 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
    • 分類 Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

Pseudomonas aeruginosa (123386 Activities)

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

作用メカニズム

化学的性質と物理的性質

• 引火点（°C）: 40℃
• 沸点（°C）: 141℃
• 分子量: 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