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(3S)-3-[4-(trifluoromethyl)phenyl]morpholine - 97%, high purity , CAS No.1213924-94-7

COA

Grade & Purity:

≥97%

Cas Number: 1213924-94-7
Molecular Weight: 231.21
EC Number: 881-387-0
PubChem CID: 95757165

In stock

Item Number

M627452

Grouped product items
SKU	Size	Availability	Price
M627452-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
M627452-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$322.90
M627452-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$969.90

View related series

Morpholine compounds (15)

Basic Description

Synonyms	SCHEMBL17524747 \| 1213924-94-7 \| MFCD11016406 \| D84870 \| A930603 \| AS-79643 \| (3S)-3-[4-(trifluoromethyl)phenyl]morpholine \| CKCJOQMDMYPVKX-SNVBAGLBSA-N \| (S)-3-(4-(trifluoromethyl)phenyl)morpholine
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
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 Organoheterocyclic compounds
  - Class Oxazinanes
    - Subclass Morpholines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxazinanes
Subclass	Morpholines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmorpholines
Alternative Parents	Trifluoromethylbenzenes Aralkylamines Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylmorpholine - Trifluoromethylbenzene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Oxacycle - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
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	(3S)-3-[4-(trifluoromethyl)phenyl]morpholine
INCHI	InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h1-4,10,15H,5-7H2/t10-/m1/s1
InChIKey	CKCJOQMDMYPVKX-SNVBAGLBSA-N
Smiles	C1COCC(N1)C2=CC=C(C=C2)C(F)(F)F
Isomeric SMILES	C1COC[C@@H](N1)C2=CC=C(C=C2)C(F)(F)F
Alternate CAS	1213924-94-7
PubChem CID	95757165
Molecular Weight	231.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.210 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	231.087 Da
Monoisotopic Mass	231.087 Da
Topological Polar Surface Area	21.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	224.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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