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N-methyl-3-phenoxyaniline - ≥95%, high purity , CAS No.13024-17-4

COA

Grade & Purity:

≥95%

Cas Number: 13024-17-4
Molecular Weight: 199.25
PubChem CID: 20671645

In stock

Item Number

N729875

Grouped product items
SKU	Size	Availability	Price
N729875-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$143.90
N729875-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$308.90
N729875-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$771.90

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 Phenylalkylamines Phenoxy compounds Phenol ethers Aniline and substituted anilines Secondary alkylarylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Ether - Secondary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - 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-3-phenoxyaniline
INCHI	InChI=1S/C13H13NO/c1-14-11-6-5-9-13(10-11)15-12-7-3-2-4-8-12/h2-10,14H,1H3
InChIKey	FKZGXKPPJDVPEP-UHFFFAOYSA-N
Smiles	CNC1=CC(=CC=C1)OC2=CC=CC=C2
Isomeric SMILES	CNC1=CC(=CC=C1)OC2=CC=CC=C2
Alternate CAS	13024-17-4
PubChem CID	20671645
Molecular Weight	199.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	199.250 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	199.1 Da
Monoisotopic Mass	199.1 Da
Topological Polar Surface Area	21.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	177.000
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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