4-(trifluoromethyl)cyclohexanamine;hydrochloride (Cas No 1087351-49-2) ≥97% high purity and research grade

Kanonisches Lächeln	C1CC(CCC1C(F)(F)F)N.Cl
IUPAC Name	4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
InChIKey	XGJNSCILISPYRX-UHFFFAOYSA-N
INCHI	1S/C7H12F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h5-6H,1-4,11H2;1H
Isomere SMILES	C1CC(CCC1C(F)(F)F)N.Cl
Alternative CAS-Nummer	1218943-32-8,2089630-84-0
PubChem CID	18769922
Molekulargewicht	203.63

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Klasse	Organonitrogen compounds
Subclass	Cyclohexylamines
Intermediate Tree Nodes	Not available
Direct Parent	Cyclohexylamines
Alternative Parents	Organopnictogen compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexylamine - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
Beschreibung	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
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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	203.630 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	203.069 Da
Monoisotopic Mass	203.069 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	124.000
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	2

Lösungsrechner

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Bewertungen

4-(trifluoromethyl)cyclohexanamine;hydrochloride - ≥97% , CAS No.1087351-49-2