sodium 6-[(4-methylphenyl)amino]naphthalene-2-sulfonate

• ChemBase ID: 134192
• Molecular Formular: C17H14NNaO3S
• Molecular Mass: 335.35273
• Monoisotopic Mass: 335.05920859
• SMILES: Cc1ccc(cc1)Nc1ccc2cc(ccc2c1)S(=O)(=O)[O-].[Na+]
• Canonical SMILES: Cc1ccc(cc1)Nc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C17H15NO3S.Na/c1-12-2-6-15(7-3-12)18-16-8-4-14-11-17(22(19,20)21)9-5-13(14)10-16;/h2-11,18H,1H3,(H,19,20,21);/q;+1/p-1
• InChIKey: QZZGQOXRGFDEJP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 6-[(4-methylphenyl)amino]naphthalene-2-sulfonate
• IUPAC Traditional name: sodium 6-[(4-methylphenyl)amino]naphthalene-2-sulfonate
• Synonyms: Sodium 6-(p-toluidino)-2-naphthalenesulfonate; TNS; 6-(p-Toluidino)-2-naphthalenesulfonic acid sodium salt; 2,6-TNS; 6-(p-Toluidino)-2-naphthalenesulfonic acid; 6-(对甲苯胺基)-2-萘磺酸钠; 6-对甲苯胺基萘磺酸 钠盐

Database IDs

• CAS Number: 53313-85-2; 7724-15-4
• EC Number: 231-769-2
• MDL Number: MFCD00171528
• Beilstein Number: 2060070; 6836595
• PubChem SID: 162228469; 24889247; 24900604
• PubChem CID: 23681042

CALCULATED PROPERTIES

• Acid pKa: -1.8372462
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7206607
• LogD (pH = 7.4): 1.7205787
• Log P: 2.5656726
• Molar Refractivity: 85.5364 cm^3
• Polarizability: 34.80935 Å^3
• Polar Surface Area: 69.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Fluorescence: λex 318 nm; λem 443 nm in methanol

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (HPLC); ≥99.0% (HPLC); 99%
• Grade: for fluorescence
• Empirical Formula (Hill Notation): C17H14NNaO3S; C17H15NO3S

DETAILS

Sigma Aldrich - T9792

Application
Fluorescent probe for the conformational state of proteins.

Sigma Aldrich - 409103

Application
Suitable for use as as fluorescent probe

Sigma Aldrich - 89656

Application
Fluorescent probe for the conformational state of proteins.

Sigma Aldrich - 89653

Other Notes
Fluorescent probe for protein conformation studies1