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N,N-Bis(2-hydroxyethyl)-p-toluenesulfonamide - 97%, high purity , CAS No.7146-67-0

COA

Grade & Purity:

≥97%

Cas Number: 7146-67-0
Molecular Weight: 259.32
Beilstein Registry Number: 11(4)381
MDL number: MFCD00020582
PubChem CID: 81565

In stock

Item Number

N158880

Grouped product items
SKU	Size	Availability	Price	Qty
N158880-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
N158880-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$119.90

View related series

alcohol (850) Non heterocyclic block (8163)

Basic Description

Synonyms	5-Bromo-1,3-xylene \| Benzenesulfonamide,N,N-bis(2-hydroxyethyl)-4-methyl- \| N,N-Bis(2-hydroxyethyl)-p-toluenesulphonamide \| (Chloromethyl)dimethyl-pentylsilane \| BCP23686 \| SR-01000076268-1 \| Benzenesulfonamide, N,N-bis(2-hydroxyethyl)-4-methyl- \| C-Acety
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
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 Alkanolamines Primary alcohols Organopnictogen 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 - Aminosulfonyl compound - Sulfonyl - Alkanolamine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - 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-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
INCHI	InChI=1S/C11H17NO4S/c1-10-2-4-11(5-3-10)17(15,16)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
InChIKey	NHFJDXPINIIUQG-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N(CCO)CCO
Molecular Weight	259.32
Beilstein	11(4)381
Reaxy-Rn	2860601
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2860601&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	100 °C
Molecular Weight	259.320 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	259.088 Da
Monoisotopic Mass	259.088 Da
Topological Polar Surface Area	86.200 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	298.000
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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