Home > Compound List > Compound details
979-88-4(anhydrous) molecular structure
click picture or here to close

disodium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate hydrate

ChemBase ID: 130809
Molecular Formular: C20H12N2Na2O5
Molecular Mass: 406.29922
Monoisotopic Mass: 406.05416006
SMILES and InChIs

SMILES:
c1ccc2c(c1)c(cc(n2)c1cc(c2ccccc2n1)C(=O)[O-])C(=O)[O-].O.[Na+].[Na+]
Canonical SMILES:
[O-]C(=O)c1cc(nc2c1cccc2)c1nc2ccccc2c(c1)C(=O)[O-].O.[Na+].[Na+]
InChI:
InChI=1S/C20H12N2O4.2Na.H2O/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);;;1H2/q;2*+1;/p-2
InChIKey:
FAFVGCAYKZKOPT-UHFFFAOYSA-L

Cite this record

CBID:130809 http://www.chembase.cn/molecule-130809.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate hydrate
IUPAC Traditional name
disodium 2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate hydrate
Synonyms
2,2′-Biquinoline-4,4′-dicarboxylic acid disodium salt
4,4′-Dicarboxy-2,2′-biquinoline disodium salt
BCA
Disodium 2,2′-biquinoline-4,4′-dicarboxylate
Bicinchoninic acid disodium salt hydrate
2,2′-联喹啉-4,4′-二羧酸 二钠盐
4,4′-二羧基-2,2′-二喹啉 二钠盐
CAS Number
979-88-4(anhydrous)
MDL Number
MFCD10567219
PubChem SID
162225087
24894202
24848583
PubChem CID
71308346

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71308346 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
0.5% sodium bicarbonate: soluble50 mg/mL expand Show data source
Apperance
white to light yellow powder expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H319-H334 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338-P342 + P311 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
≥99.0% (HPLC) expand Show data source
Impurities
~12% water expand Show data source
Empirical Formula (Hill Notation)
C20H10N2Na2O4 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 14339 external link
Other Notes
Photometric reagent for protein assay. Forms an intense purple complex with the cuprous ion and hence the basis of the analytical monitoring of cuprous ion produced in the biuret reaction. Demonstrates greater tolerance to interference from non-ionic detergents and simple buffer salts1,2,3
Sigma Aldrich - D8284 external link
Application
For the determination of protein concentration.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle