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3-Fluoro-4-methylbenzylamine - 95%, high purity , CAS No.261951-67-1

COA

Grade & Purity:

≥95%

Cas Number: 261951-67-1
Molecular Weight: 139.2
PubChem CID: 2774597

In stock

Item Number

F183256

Grouped product items
SKU	Size	Availability	Price	Qty
F183256-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
F183256-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$132.90

Basic Description

Synonyms	3-Fluoro-4-methylbenzylamine \| 261951-67-1 \| (3-fluoro-4-methylphenyl)methanamine \| 1-(3-fluoro-4-methylphenyl)methanamine \| Benzenemethanamine, 3-fluoro-4-methyl- \| 3-fluoro-4-methyl-benzylamine \| (3-FLUORO-4-METHYLPHENYL) METHANAMINE \| Benzenemethanamine, 3-fluoro-4-
Specifications & Purity	≥95%
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 Phenylmethylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Toluenes Fluorobenzenes Aralkylamines Aryl fluorides Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Toluene - Aralkylamine - Aryl fluoride - Aryl halide - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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

IUPAC Name	(3-fluoro-4-methylphenyl)methanamine
INCHI	InChI=1S/C8H10FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3
InChIKey	XCAJNBJDLZPHNB-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)CN)F
Isomeric SMILES	CC1=C(C=C(C=C1)CN)F
Molecular Weight	139.2
Reaxy-Rn	10654893
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10654893&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	139.170 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	139.08 Da
Monoisotopic Mass	139.08 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105.000
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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