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4-[2-(Methylaminomethyl)phenoxy]benzenesulfonamide - ≥95%, high purity , CAS No.902836-97-9

COA

Grade & Purity:

≥95%

Cas Number: 902836-97-9
PubChem CID: 24208872

In stock

Item Number

B731230

Grouped product items
SKU	Size	Availability	Price	Qty
B731230-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$190.90

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 Benzenesulfonamides Benzenesulfonyl compounds Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Aralkylamines Organosulfonamides Aminosulfonyl compounds Dialkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Aralkylamine - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary aliphatic amine - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen 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	4-[2-(methylaminomethyl)phenoxy]benzenesulfonamide
INCHI	InChI=1S/C14H16N2O3S/c1-16-10-11-4-2-3-5-14(11)19-12-6-8-13(9-7-12)20(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
InChIKey	AFXXBAMJRRMZDG-UHFFFAOYSA-N
Smiles	CNCC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N
Isomeric SMILES	CNCC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N
Alternate CAS	902836-97-9
PubChem CID	24208872

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	292.360 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	292.088 Da
Monoisotopic Mass	292.088 Da
Topological Polar Surface Area	89.800 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	386.000
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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