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N-(4-(2-Aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide hydrochloride - ≥98%, high purity , CAS No.149436-41-9

COA

Grade & Purity:

≥98%

Cas Number: 149436-41-9
Molecular Weight: 386.86
PubChem CID: 44181766

In stock

Item Number

N732051

Grouped product items
SKU	Size	Availability	Price
N732051-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$25.90
N732051-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90
N732051-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$240.90
N732051-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$903.90

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	Alkyl-phenylketones Diarylethers Sulfanilides Methoxyanilines Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Alpha-amino ketones Quaternary ammonium salts Hydrocarbon derivatives Monoalkylamines Organic chloride salts Organic oxides Organic zwitterions
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Diphenylether - Diaryl ether - Sulfanilide - Phenylketone - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Organic sulfonic acid amide - Organosulfonic acid amide - Alpha-aminoketone - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Ketone - Ether - Organic nitrogen compound - Primary amine - Organic chloride salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic salt - Amine - Organic zwitterion - Organic oxygen compound - Organic oxide - 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-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]methanesulfonamide;hydrochloride
INCHI	InChI=1S/C16H18N2O5S.ClH/c1-22-15-9-13(18-24(2,20)21)16(8-12(15)14(19)10-17)23-11-6-4-3-5-7-11;/h3-9,18H,10,17H2,1-2H3;1H
InChIKey	NWUBXODWWYGUHS-UHFFFAOYSA-N
Smiles	COC1=CC(=C(C=C1C(=O)CN)OC2=CC=CC=C2)NS(=O)(=O)C.Cl
Isomeric SMILES	COC1=CC(=C(C=C1C(=O)CN)OC2=CC=CC=C2)NS(=O)(=O)C.Cl
PubChem CID	44181766
Molecular Weight	386.86

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	386.900 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	386.07 Da
Monoisotopic Mass	386.07 Da
Topological Polar Surface Area	116.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	513.000
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	2

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