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

CAS: 458566-84-2 Cat. No.: D303759 분자식: C₆H₁₁F₂N 분자량: 135.16 EC 번호: 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

동의어

(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

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥95%

이름과 식별자

• Pubchem Sid: 504762763
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762763
• 정식 스마일: 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
• 이성체 SMILES: C1CC(CCC1N)(F)F
• 분자량: 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
    • 분류 Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: 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
• 설명: 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

관련 대상(비인간)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 발화점(°C): 40℃
• 끓는점(°C): 141℃
• 분자량: 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