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N-[2-Amino-4-(trifluoromethyl)phenyl]-morpholine - ≧95%, high purity , CAS No.784-57-6

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N-[2-Amino-4-(trifluoromethyl)phenyl]-morpholine - ≧95%, high purity , CAS No.784-57-6

COA

Grade & Purity:

≥95%

Cas Number: 784-57-6
Molecular Weight: 246.23
MDL number: MFCD00042160
PubChem CID: 136624

In stock

Item Number

N300863

Grouped product items
SKU	Size	Availability	Price
N300863-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
N300863-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
N300863-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
N300863-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$124.90

Basic Description

Synonyms	784-57-6 \| 2-morpholino-5-(trifluoromethyl)aniline \| 3-amino-4-(4-morpholino)benzotrifluoride \| 2-morpholin-4-yl-5-(trifluoromethyl)aniline \| 2-(4-morpholinyl)-5-(trifluoromethyl)aniline \| 2-(morpholin-4-yl)-5-(trifluoromethyl)aniline \| n-[2-amino-4-(trifluoromethyl)
Specifications & Purity	≥95%
Shipped In	Normal
Product Description	2-(4-Morpholinyl)-5-(trifluoromethyl)aniline is used as pharmaceutical intermediate.

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 Dialkylarylamines Aniline and substituted anilines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylmorpholine - Trifluoromethylbenzene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - 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

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-morpholin-4-yl-5-(trifluoromethyl)aniline
INCHI	InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(9(15)7-8)16-3-5-17-6-4-16/h1-2,7H,3-6,15H2
InChIKey	CNVOJNRNRNAOOP-UHFFFAOYSA-N
Smiles	C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)N
Isomeric SMILES	C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)N
Molecular Weight	246.23
Reaxy-Rn	213147
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=213147&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Insoluble in water.
Melt Point(°C)	127-128°
Molecular Weight	246.230 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	246.098 Da
Monoisotopic Mass	246.098 Da
Topological Polar Surface Area	38.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	254.000
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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