sodium 2-{4-[(sodiooxy)carbonyl]quinolin-3-yl}quinoline-4-carboxylate

• ChemBase ID: 303771
• Molecular Formular: C20H10N2Na2O4
• Molecular Mass: 388.28394
• Monoisotopic Mass: 388.04359537
• SMILES: c1ccc2c(c1)c(cc(n2)c1cnc2ccccc2c1C(=O)O[Na])C(=O)O[Na]
• Canonical SMILES: [Na]OC(=O)c1c(cnc2c1cccc2)c1nc2ccccc2c(c1)C(=O)O[Na]
• InChI: InChI=1S/C20H12N2O4.2Na/c23-19(24)13-9-17(22-16-8-4-1-5-11(13)16)14-10-21-15-7-3-2-6-12(15)18(14)20(25)26;;/h1-10H,(H,23,24)(H,25,26);;/q;2*+1/p-2
• InChIKey: SGTFEBLKDMJNMH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-{4-[(sodiooxy)carbonyl]quinolin-3-yl}quinoline-4-carboxylate
• IUPAC Traditional name: sodium 2-{4-[(sodiooxy)carbonyl]quinolin-3-yl}quinoline-4-carboxylate
• Synonyms: BCA; 2,2'-Biquinoline-4,4'-dicarboxylic acid disodium salt; Bicinchoninic acid disodium salt; 2,2'-联喹啉-4,4'-二羧酸钠

Database IDs

• CAS Number: 979-88-4
• MDL Number: MFCD00037500

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.162644
• LogD (pH = 7.4): 5.163094
• Log P: 5.1631
• Molar Refractivity: 91.322 cm^3
• Polarizability: 43.00096 Å^3
• Polar Surface Area: 78.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder/chunks

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A