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1-(azetidin-3-yl)ethan-1-one; trifluoroacetic acid - 97%, high purity , CAS No.1309208-83-0

COA

Grade & Purity:

≥97%

Cas Number: 1309208-83-0
MDL number: MFCD19225545
PubChem CID: 86672986

In stock

Item Number

E628189

Grouped product items
SKU	Size	Availability	Price
E628189-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$107.90
E628189-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
E628189-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$214.90
E628189-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$861.90
E628189-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,721.90

Basic Description

Synonyms	1309208-83-0 \| 1-Azetidin-3-yl-ethanone TFA \| 1-(azetidin-3-yl)ethan-1-one \| trifluoroacetic acid \| 1-(azetidin-3-yl)ethan-1-one trifluoroacetic acid \| 1-(azetidin-3-yl)ethanone \| 2,2,2-trifluoroacetic acid \| AKOS026742741 \| PB47196 \| 1-(azetidin-3-yl)eth
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Beta-amino ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Beta-amino ketones
Alternative Parents	Alpha-halocarboxylic acids Azetidines Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Not available
Substituents	Beta-aminoketone - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azetidine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as beta-amino ketones. These are ketones containing a carboxylic acid, and an amine group attached to the beta carbon atom, relative to the C=O 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

Names and Identifiers

IUPAC Name	1-(azetidin-3-yl)ethanone;2,2,2-trifluoroacetic acid
INCHI	InChI=1S/C5H9NO.C2HF3O2/c1-4(7)5-2-6-3-5;3-2(4,5)1(6)7/h5-6H,2-3H2,1H3;(H,6,7)
InChIKey	PJMDMFFDGCWHJN-UHFFFAOYSA-N
Smiles	CC(=O)C1CNC1.C(=O)(C(F)(F)F)O
Isomeric SMILES	CC(=O)C1CNC1.C(=O)(C(F)(F)F)O
PubChem CID	86672986

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	213.150 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	213.061 Da
Monoisotopic Mass	213.061 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	170.000
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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