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N-Methyl-4-phenoxybenzylamine - ≥97%, high purity , CAS No.169943-40-2

COA

Grade & Purity:

≥97%

Cas Number: 169943-40-2
Molecular Weight: 213.27
PubChem CID: 10608640

In stock

Item Number

N724889

Grouped product items
SKU	Size	Availability	Price	Qty
N724889-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$191.90
N724889-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$466.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	Diarylethers Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Aralkylamines Dialkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Aralkylamine - Secondary amine - Ether - Secondary aliphatic amine - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
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	N-methyl-1-(4-phenoxyphenyl)methanamine
INCHI	InChI=1S/C14H15NO/c1-15-11-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKey	YWBKPTGYRUSBFV-UHFFFAOYSA-N
Smiles	CNCC1=CC=C(C=C1)OC2=CC=CC=C2
Isomeric SMILES	CNCC1=CC=C(C=C1)OC2=CC=CC=C2
PubChem CID	10608640
Molecular Weight	213.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	213.270 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	213.115 Da
Monoisotopic Mass	213.115 Da
Topological Polar Surface Area	21.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	181.000
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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