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207124-63-8 molecular structure
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dipotassium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate trihydrate

ChemBase ID: 147315
Molecular Formular: C20H16K2N2O7
Molecular Mass: 474.54684
Monoisotopic Mass: 474.02316422
SMILES and InChIs

SMILES:
c1ccc2c(c1)c(cc(n2)c1cc(c2ccccc2n1)C(=O)[O-])C(=O)[O-].O.O.O.[K+].[K+]
Canonical SMILES:
[O-]C(=O)c1cc(nc2c1cccc2)c1nc2ccccc2c(c1)C(=O)[O-].O.O.O.[K+].[K+]
InChI:
InChI=1S/C20H12N2O4.2K.3H2O/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;;;;;/h1-10H,(H,23,24)(H,25,26);;;3*1H2/q;2*+1;;;/p-2
InChIKey:
MUCQANVZZZELIW-UHFFFAOYSA-L

Cite this record

CBID:147315 http://www.chembase.cn/molecule-147315.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dipotassium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate trihydrate
IUPAC Traditional name
dipotassium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate trihydrate
Synonyms
2,2′-Bicinchoninic acid dipotassium salt
4,4′-Dicarboxy-2,2′-biquinoline dipotassium salt
Dipotassium 2,2′-biquinoline-4,4′-dicarboxylate trihydrate
2,2′-Biquinoline-4,4′-dicarboxylic acid dipotassium salt trihydrate
2,2′-二辛可宁酸 二钾盐
2,2′-联喹啉-4,4′-二甲酸二钾 三水合物
4,4′-二羧基-2,2′-二喹啉 二钾盐
2,2′-联喹啉-4,4′-二羧酸 二钾盐 三水合物
CAS Number
207124-63-8
EC Number
264-196-1
MDL Number
MFCD00191791
PubChem SID
162241505
24864401
PubChem CID
16212504

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16212504 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.2556043  H Acceptors
H Donor LogD (pH = 5.5) 0.14725791 
LogD (pH = 7.4) -2.6930695  Log P 4.022647 
Molar Refractivity 114.4794 cm3 Polarizability 39.02851 Å3
Polar Surface Area 106.04 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
methanol: soluble10 mg/mL, clear expand Show data source
Melting Point
>300 °C(lit.) 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 expand Show data source
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
≥97.0% (NT) expand Show data source
99% expand Show data source
Grade
for sugar analysis expand Show data source
purum p.a. expand Show data source
Empirical Formula (Hill Notation)
C20H10K2N2O4 · 3H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 391778 external link
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 14338 external link
Other Notes
Noncorrosive dye reagent for automatic sugar chromatography and for the detection of reducing sugars in borate complex ion-exchange chromatography1,2; Reagent for the spectrophotometric determination of copper 3,4

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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