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4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine - 97%, high purity , CAS No.135908-49-5

COA

Grade & Purity:

≥97%

Cas Number: 135908-49-5
MDL number: MFCD20699464
PubChem CID: 85615176

In stock

Item Number

B628542

Grouped product items
SKU	Size	Availability	Price
B628542-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$363.90
B628542-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90
B628542-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$969.90
B628542-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,747.90

Basic Description

Synonyms	4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine \| 135908-49-5 \| SCHEMBL19381570 \| AT34636 \| EN300-177920
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Organofluorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Organofluorides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organofluorides
Alternative Parents	Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
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

Names and Identifiers

IUPAC Name	4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine
INCHI	InChI=1S/C9H14F3N/c10-9(11,12)7-1-4-8(13,5-2-7)6-3-7/h1-6,13H2
InChIKey	FZWZAQABIOOSTK-UHFFFAOYSA-N
Smiles	C1CC2(CCC1(CC2)C(F)(F)F)N
Isomeric SMILES	C1CC2(CCC1(CC2)C(F)(F)F)N
PubChem CID	85615176

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	193.210 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	193.108 Da
Monoisotopic Mass	193.108 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	197.000
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	1

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