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N,N,4-Trimethylbenzenesulfonamide - 97%, high purity , CAS No.599-69-9

COA

Grade & Purity:

≥97%

Cas Number: 599-69-9
Molecular Weight: 199.27
EC Number: ‘209-971-7
PubChem CID: 11743

In stock

Item Number

N589614

Grouped product items
SKU	Size	Availability	Price
N589614-250mg	250mg	3	$51.90
N589614-1g	1g	3	$62.90
N589614-5g	5g	2	$279.90

Basic Description

Synonyms	AKOS000277267 \| Enamine_005742 \| p-Toluenesulfonamide, N,N-dimethyl- \| AM87088 \| BRN 1873124 \| MFCD00152452 \| DTXSID9060520 \| IDI1_007977 \| N,N,4-trimethylbenzene-1-sulfonamide \| STK016723 \| AM7HU644XP \| N,N,4-trimethylbenzenesulfonamide \| N,N,4-Trimethyl
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Desiccated
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

Names and Identifiers

IUPAC Name	N,N,4-trimethylbenzenesulfonamide
INCHI	InChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3
InChIKey	WZKOKGOAHBIPCI-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)N(C)C
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N(C)C
NSC Number	NSC Number': ['2229
Molecular Weight	199.27
Reaxy-Rn	1873124
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1873124&ln=

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3 results found

Lot Number	Certificate Type	Date	Item
J2308114	Certificate of Analysis	Sep 08, 2023	N589614
J2308115	Certificate of Analysis	Sep 08, 2023	N589614
J2308116	Certificate of Analysis	Sep 08, 2023	N589614

Chemical and Physical Properties

Molecular Weight	199.270 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	199.067 Da
Monoisotopic Mass	199.067 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	245.000
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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