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2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride - 97%, high purity , CAS No.1780237-68-4

COA

Grade & Purity:

≥97%

Cas Number: 1780237-68-4
EC Number: 830-679-6
PubChem CID: 105452554

In stock

Item Number

E637772

Grouped product items
SKU	Size	Availability	Price	Qty
E637772-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$401.90

Basic Description

Synonyms	PS-15497 \| 2-(4,4-Difluorocyclohexyl)ethanamine Hydrochloride \| Z2733347846 \| SCHEMBL16323175 \| 2-(4,4-difluorocyclohexyl)ethan-1-amine hydrochloride \| SY343744 \| EN300-747157 \| F78261 \| 1780237-68-4 \| 2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride \|
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Alkyl halides
    - Subclass Cyclohexyl halides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Alkyl halides
Subclass	Cyclohexyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Cyclohexyl halides
Alternative Parents	Organopnictogen compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexyl halide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - 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
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	2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride
INCHI	InChI=1S/C8H15F2N.ClH/c9-8(10)4-1-7(2-5-8)3-6-11;/h7H,1-6,11H2;1H
InChIKey	XQHPADFCTSEISW-UHFFFAOYSA-N
Smiles	C1CC(CCC1CCN)(F)F.Cl
Isomeric SMILES	C1CC(CCC1CCN)(F)F.Cl
Alternate CAS	1780237-68-4
PubChem CID	105452554

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	199.670 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	199.094 Da
Monoisotopic Mass	199.094 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	115.000
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

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