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N,N',N''-Tris(p-toluenesulfonyl)diethylenetriamine - ≥95%, high purity , CAS No.56187-04-3

COA

Grade & Purity:

≥95%

Cas Number: 56187-04-3
Molecular Weight: 565.72
Beilstein Registry Number: 1277400
MDL number: MFCD00015623
PubChem CID: 316685

In stock

Item Number

N758044

Grouped product items
SKU	Size	Availability	Price
N758044-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
N758044-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$25.90
N758044-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$112.90
N758044-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	4-Methyl-N,N-bis[2-(4-methylphenylsulfonamido)ethyl]benzenesulfonamide \| 4-methyl-N,N-bis(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide \| NSC245019 \| NSC-245019
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

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	4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide
INCHI	InChI=1S/C25H31N3O6S3/c1-20-4-10-23(11-5-20)35(29,30)26-16-18-28(37(33,34)25-14-8-22(3)9-15-25)19-17-27-36(31,32)24-12-6-21(2)7-13-24/h4-15,26-27H,16-19H2,1-3H3
InChIKey	OCDIAWYQMCPHAM-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)NCCN(CCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)NCCN(CCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C
WGK Germany	1
Molecular Weight	565.72
Beilstein	1277400
Reaxy-Rn	1277399
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1277399&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2526665	Certificate of Analysis	Jun 30, 2025	N758044
F2526666	Certificate of Analysis	Jun 30, 2025	N758044
F2526667	Certificate of Analysis	Jun 30, 2025	N758044
F2526668	Certificate of Analysis	Jun 30, 2025	N758044
F2516446	Certificate of Analysis	Jun 28, 2025	N758044
F2516454	Certificate of Analysis	Jun 28, 2025	N758044

Chemical and Physical Properties

Melt Point(°C)	177 °C
Molecular Weight	565.700 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	565.137 Da
Monoisotopic Mass	565.137 Da
Topological Polar Surface Area	155.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	949.000
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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