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3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride - 97%, high purity , CAS No.1349718-44-0

COA

Grade & Purity:

≥97%

Cas Number: 1349718-44-0
Molecular Weight: 253.65
MDL number: MFCD20233322
PubChem CID: 56604671

In stock

Item Number

O628428

Grouped product items
SKU	Size	Availability	Price
O628428-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$130.90
O628428-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$209.90
O628428-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$349.90
O628428-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$523.90
O628428-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,621.90

Basic Description

Synonyms	3-[4-(Trifluoromethyl)phenyl]oxetan-3-amine--hydrogen chloride (1/1) \| 1349718-44-0 \| A857867 \| 3-(4-(Trifluoromethyl)phenyl)oxetan-3-amine hydrochloride \| 3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride \| AKOS025212136 \| SY239755 \| CS-0183136 \|
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Aralkylamines Oxetanes Oxacyclic compounds Dialkyl ethers Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Trifluoromethylbenzene - Aralkylamine - Oxetane - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Alkyl fluoride - Hydrochloride - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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	3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride
INCHI	InChI=1S/C10H10F3NO.ClH/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-15-6-9;/h1-4H,5-6,14H2;1H
InChIKey	LREFYQKSBQNBAE-UHFFFAOYSA-N
Smiles	C1C(CO1)(C2=CC=C(C=C2)C(F)(F)F)N.Cl
Isomeric SMILES	C1C(CO1)(C2=CC=C(C=C2)C(F)(F)F)N.Cl
Alternate CAS	1349718-44-0
PubChem CID	56604671
Molecular Weight	253.65

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	253.650 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	253.048 Da
Monoisotopic Mass	253.048 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	229.000
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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