CAS 5098-14-6

Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1)

Description:

Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1), with the CAS number 5098-14-6, is a chemical compound that features a sulfonate group attached to a substituted aromatic ring. This compound typically exhibits characteristics associated with both its amine and sulfonate functional groups, including potential solubility in polar solvents and the ability to participate in various chemical reactions, such as nucleophilic substitutions. The presence of the propanedinitrile moiety suggests that it may have applications in organic synthesis or as an intermediate in the production of other chemical entities. Additionally, the compound may display biological activity due to the amino group, which can influence its interaction with biological systems. Its structural features may also confer specific physical properties, such as melting and boiling points, which are influenced by intermolecular forces like hydrogen bonding and dipole-dipole interactions. Overall, this compound's unique combination of functional groups makes it of interest in both synthetic and medicinal chemistry contexts.

Formula: C₇H₈O₃S·C₃H₃N₃

InChI: InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2

InChI key: InChIKey=MEUWQVWJLLBVQI-UHFFFAOYSA-N

SMILES: C(C#N)(C#N)N.S(=O)(=O)(O)C1=CC=C(C)C=C1

Synonyms:

• 2-Aminomalononitrile 4-methylbenzenesulfonate
• 2-Aminomalononitrile tosylate
• 2-Aminopropanedinitrile 4-methylbenzenesulfonate
• Aminomalonitrile tosylate
• Aminomalononitrile p-toluenesulphonate
• Aminomalononitrile tosylate
• Aminopropanedinitrile 4-Methylbenzenesulfonate (1:1)
• Animomalononitrile p-toluenosulfunic acid
• Malononitrile, amino-, p-toluenesulfonate
• Propanedinitrile, 2-amino-, 4-methylbenzenesulfonate (1:1)
• Propanedinitrile, amino-, mono(4-methylbenzenesulfonate)

Aminomalononitrile p-Toluenesulfonate

CAS: 5098-14-6

Formula: C₃H₃N₃·C₇H₈O₃S

Purity: >98.0%(T)

Color and Shape: White to Light yellow to Light orange powder to crystal

Molecular weight: 253.28

Ref: 3B-A1119

2-Aminomalononitrile 4-methylbenzenesulphonate

CAS: 5098-14-6

Formula: C₁₀H₁₁N₃O₃S

Purity: 95%

Color and Shape: Solid

Molecular weight: 253.2776

Ref: IN-DA00374W

2-Aminomalononitrile toluene-4-sulphonate

CAS: 5098-14-6

2-Aminomalononitrile toluene-4-sulphonate

Formula: C₃H₃N₃·C₇H₈O₃S

Purity: 96%

Color and Shape: faint brown to faint orange powder

Molecular weight: 253.28g/mol

Ref: 54-OR28794

2-Aminomalononitrile 4-methylbenzenesulfonate

CAS: 5098-14-6

Formula: C₁₀H₁₁N₃O₃S

Purity: 95%

Color and Shape: Powder

Molecular weight: 253.28

Ref: 10-F234166

Aminomalononitrile p-Toluenesulfonate

Controlled Product

CAS: 5098-14-6

Stability Hygroscopic
Applications Aminomalononitrile p-toluenesulfonate is a reagent for diazonamide synthesis via heck endocyclization. It may also have implications for developing IκB Kinase-β inhibitors.
References Jeong, S., et al.: J. Org. Chem 63, 8640 (1998); Morwick, T. et al.: J. Med. Chem. 49, 2898

Formula: C₁₀H₁₁N₃O₃S

Color and Shape: Neat

Molecular weight: 253.28

Ref: TR-A628060

Aminomalononitrile p-toluenesulfonate

CAS: 5098-14-6

Aminomalononitrile p-toluenesulfonate is a synthetic, homologous chemical that inhibits the replication of virus type-1. It has been shown to have anticancer activity in mice by inducing apoptosis and necrosis in cancer cells. Aminomalononitrile p-toluenesulfonate is an inhibitor of the assembly of virus particles by inhibiting the polymerization of nucleoprotein complexes with low energy. In addition, it can inhibit chloride channels, which are required for viral entry into cells. Aminomalononitrile p-toluenesulfonate binds to metal ions, such as copper or iron, and blocks their function in cell signaling pathways. The functional groups present on this compound are aminomethylbenzenesulfonyl and isothiocyanates.

Formula: C₇H₈O₃S·C₃H₃N₃

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 253.28 g/mol

Ref: 3D-FA46635