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N-p-Toluenesulfonylimino-3，3’-Dipropionic Acid - ≥98%, high purity , CAS No.5446-58-2

COA

Grade & Purity:

≥98%

Cas Number: 5446-58-2
Molecular Weight: 315.34
PubChem CID: 79524

In stock

Item Number

N694666

Grouped product items
SKU	Size	Availability	Price
N694666-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
N694666-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$112.90
N694666-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$408.90

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 Dicarboxylic acids and derivatives Aminosulfonyl compounds Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Dicarboxylic acid or derivatives - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen 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	3-[2-carboxyethyl-(4-methylphenyl)sulfonylamino]propanoic acid
INCHI	InChI=1S/C13H17NO6S/c1-10-2-4-11(5-3-10)21(19,20)14(8-6-12(15)16)9-7-13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)
InChIKey	LBANXBGLPMAEBA-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CCC(=O)O
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)CCC(=O)O
PubChem CID	79524
Molecular Weight	315.34

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	315.340 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	315.078 Da
Monoisotopic Mass	315.078 Da
Topological Polar Surface Area	120.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	444.000
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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N-p-Toluenesulfonylimino-3，3’-Dipropionic Acid - ≥98%, high purity , CAS No.5446-58-2

Basic Description