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N,N-Diallyl-4-methylbenzenesulfonamide - 95%, high purity , CAS No.50487-72-4

COA

Grade & Purity:

≥95%

Cas Number: 50487-72-4
Molecular Weight: 251.35
PubChem CID: 351447

In stock

Item Number

N589292

Grouped product items
SKU	Size	Availability	Price
N589292-100mg	100mg	3	$10.90
N589292-250mg	250mg	3	$20.90
N589292-1g	1g	3	$65.90
N589292-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$269.90
N589292-25g	25g	1	$1,211.90

Basic Description

Synonyms	DTXSID90325916 \| N,N-diallyl-4-methylbenzenesulphonamide \| NSC523153 \| NSC-523153 \| Benzenesulfonamide, 4-methyl-N,N-di-2-propenyl- \| n,n-diallyl-4-methyl-1-benzenesulfonamide \| Diallyltosylamine \| MFCD00226469 \| N-Allyl-N-tosylprop-2-en-1-amine \| AKOS003
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
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 Toluenes
      - Level5 Tosyl compounds
        Level6 P-toluenesulfonamides
        Level7 N,N-disubstituted p-toluenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Tosyl compounds - P-toluenesulfonamides
Direct Parent	N,N-disubstituted p-toluenesulfonamides
Alternative Parents	Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.
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	4-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
INCHI	InChI=1S/C13H17NO2S/c1-4-10-14(11-5-2)17(15,16)13-8-6-12(3)7-9-13/h4-9H,1-2,10-11H2,3H3
InChIKey	OKXHMBXWZHCSMR-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC=C
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC=C
Molecular Weight	251.35
Reaxy-Rn	1972128
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1972128&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
I2321948	Certificate of Analysis	Sep 05, 2023	N589292
I2321885	Certificate of Analysis	Sep 05, 2023	N589292
I2321924	Certificate of Analysis	Sep 05, 2023	N589292
I2321950	Certificate of Analysis	Sep 05, 2023	N589292
I2321949	Certificate of Analysis	Sep 05, 2023	N589292

Chemical and Physical Properties

Molecular Weight	251.350 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	251.098 Da
Monoisotopic Mass	251.098 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	338.000
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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