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3-(Trifluoromethyl)cyclohexylamine (cis- and trans- mixture) - 98%, high purity , CAS No.56287-83-3
Basic Description
Synonyms
SCHEMBL3126075 | Z228586630 | D92731 | 3-(trifluoromethyl)cyclohexanamine | AKOS009115116 | FFCACAFKNHPVNI-UHFFFAOYSA-O | MFCD08444665 | DTXSID60585449 | BS-13420 | FFCACAFKNHPVNI-UHFFFAOYSA-N | F8880-4463 | 3-(Trifluoromethyl)cyclohexan-1-amine | EN300-2
Specifications & Purity
≥98%
Storage Temp
Argon charged
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Cyclohexylamines
Intermediate Tree Nodes
Not available
Direct Parent
Cyclohexylamines
Alternative Parents
Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cyclohexylamine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.
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.
Names and Identifiers
Pubchem Sid
488199357
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488199357
IUPAC Name
3-(trifluoromethyl)cyclohexan-1-amine
INCHI
InChI=1S/C7H12F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6H,1-4,11H2
InChIKey
FFCACAFKNHPVNI-UHFFFAOYSA-N
Smiles
C1CC(CC(C1)N)C(F)(F)F
Isomeric SMILES
C1CC(CC(C1)N)C(F)(F)F
Alternate CAS
23566-61-2
PubChem CID
16227766
UN Number
2735
Packing Group
Ⅲ
Molecular Weight
167.18
Reaxy-Rn
2204782
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Refractive Index
1.41
Flash Point(°C)
52 °C
Boil Point(°C)
70 °C/27 mmHg
Molecular Weight
167.170 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
167.092 Da
Monoisotopic Mass
167.092 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
132.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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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