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4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline - 97%, high purity , CAS No.694499-26-8

COA

Grade & Purity:

≥97%

Cas Number: 694499-26-8
Molecular Weight: 273.303
PubChem CID: 46838908
PubChem SID: 488201373

In stock

Item Number

M177205

Grouped product items
SKU	Size	Availability	Price
M177205-250mg	250mg	3	$11.90
M177205-1g	1g	3	$20.90
M177205-5g	5g	3	$89.90
M177205-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$161.90
M177205-25g	25g	2	$295.90

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Metabolite (5307)

Basic Description

Synonyms	694499-26-8 \| 4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline \| 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline \| 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline \| KFW56NE7FT \| Benzenamine, 4-[(4-methyl-1-piperazinyl)methyl]-3-(t
Specifications & Purity	≥97%
Shipped In	Normal

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	Phenylmethylamines Benzylamines Aniline and substituted anilines N-methylpiperazines Aralkylamines Trialkylamines Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Trifluoromethylbenzene - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - Primary amine - 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

Mechanisms of Action

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

Names and Identifiers

Pubchem Sid	488201373
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488201373
IUPAC Name	4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
INCHI	InChI=1S/C13H18F3N3/c1-18-4-6-19(7-5-18)9-10-2-3-11(17)8-12(10)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3
InChIKey	ZMWAZMYBMAAMAW-UHFFFAOYSA-N
Smiles	CN1CCN(CC1)CC2=C(C=C(C=C2)N)C(F)(F)F
Isomeric SMILES	CN1CCN(CC1)CC2=C(C=C(C=C2)N)C(F)(F)F
Molecular Weight	273.303
Reaxy-Rn	11499750
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11499750&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
K2229791	Certificate of Analysis	Oct 15, 2022	M177205
K2229781	Certificate of Analysis	Oct 15, 2022	M177205
K2229809	Certificate of Analysis	Oct 15, 2022	M177205
K2229787	Certificate of Analysis	Oct 15, 2022	M177205
K2229922	Certificate of Analysis	Oct 15, 2022	M177205
K2229923	Certificate of Analysis	Oct 15, 2022	M177205
C2526229	Certificate of Analysis	Oct 15, 2022	M177205

Chemical and Physical Properties

Molecular Weight	273.300 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	273.145 Da
Monoisotopic Mass	273.145 Da
Topological Polar Surface Area	32.500 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	287.000
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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