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32752-10-6 molecular structure
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potassium 6-[(4-methylphenyl)amino]naphthalene-2-sulfonate

ChemBase ID: 103566
Molecular Formular: C17H14KNO3S
Molecular Mass: 351.46126
Monoisotopic Mass: 351.03314599
SMILES and InChIs

SMILES:
[K+].Cc1ccc(Nc2cc3ccc(cc3cc2)S(=O)(=O)[O-])cc1
Canonical SMILES:
Cc1ccc(cc1)Nc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-].[K+]
InChI:
InChI=1S/C17H15NO3S.K/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:
GVDCHDBOXJUSDZ-UHFFFAOYSA-M

Cite this record

CBID:103566 http://www.chembase.cn/molecule-103566.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium 6-[(4-methylphenyl)amino]naphthalene-2-sulfonate
IUPAC Traditional name
potassium 6-[(4-methylphenyl)amino]naphthalene-2-sulfonate
potassium ion 6-[(4-methylphenyl)amino]naphthalene-2-sulfonate
Synonyms
2-(p-Toluidino)-6-naphthalenesulfonic acid potassium salt
TNS
6-p-TOLUIDINO-2-NAPHTHALENESULFONIC ACID
CAS Number
32752-10-6
EC Number
251-196-1
MDL Number
MFCD00004091
PubChem SID
24865944
162102883
PubChem CID
23666335

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23666335 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.8372462  H Acceptors
H Donor LogD (pH = 5.5) 1.7206607 
LogD (pH = 7.4) 1.7205787  Log P 2.5656726 
Molar Refractivity 85.5364 cm3 Polarizability 34.80935 Å3
Polar Surface Area 69.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
2-8°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
85% expand Show data source
Grade
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3C6H4NHC10H6SO3K expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02152150 external link
Potassium Salt
Crystalline
Fluorescent probe for conformation studies of proteins.
Sigma Aldrich - 414573 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Biochemistry, 4: 1908, (1966).
  • • Eur. J. Biochem., 50, 463, (1975).
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PATENTS

PATENTS

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INTERNET

INTERNET

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