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4,4-Difluorocyclohexanamine - ≥95%, high purity , CAS No.458566-84-2
Basic Description
Synonyms
4,4-Difluorocyclohexanamine | 458566-84-2 | 4,4-difluorocyclohexan-1-amine | 4,4-difluoro-cyclohexylamine | (4,4-difluorocyclohexyl)amine | MFCD06409984 | CYCLOHEXANAMINE, 4,4-DIFLUORO- | 4,4-DIFLUOROCYCLOHEXYLAMINE | 4,4-difluorocyclohexyl amine | SCHEMBL359571 | 4, 4-Diflu
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
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
Description
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504762763
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504762763
IUPAC Name
4,4-difluorocyclohexan-1-amine
INCHI
InChI=1S/C6H11F2N/c7-6(8)3-1-5(9)2-4-6/h5H,1-4,9H2
InChIKey
MQOFXVWAFFJFJH-UHFFFAOYSA-N
Smiles
C1CC(CCC1N)(F)F
Isomeric SMILES
C1CC(CCC1N)(F)F
Molecular Weight
135.16
Reaxy-Rn
11407186
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11407186&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
40℃
Boil Point(°C)
141℃
Molecular Weight
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
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K2117708