Grundinformationen
- Standard-SMILES
O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12- InChIKey
AFYNADDZULBEJA-UHFFFAOYSA-N- Summenformel
- C20H12N2O4
- Durchschnittliche Molmasse
- 344,3 g/mol
- Monoisotopische Masse
- 344,07970687
Namen und Bezeichner
- Bevorzugter Name
- Bicinchoninic acid
- IUPAC
- 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid
- Lokaler Name
- [2,2'-Bichinolin]-4,4'-dicarbonsure
- Englischer Name
- 2,2'-Bicinchoninic Acid
- Summenformel
- C20H12N2O4
- Molmasse
- 344.32
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1245-13-2- PubChem CID
- 71068
- DTXSID
DTXSID8061638- ChEMBL
CHEMBL431482- UNII
- CX56TX9Y1I
- EC Number
- 214-990-9
- Nikkaji
- J217.077I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 100 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 506
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 365 °C · 365°C(lit.)
- Siedepunkt
- 626.2 · 626.2±55.0 °C(Predicted)
- Dichte
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 1.77 · 1.77±0.10(Predicted)
- Farbe
- Light yellow to Yellow to Orange
- BRN
- 321561 · 321561
- InChI
- InChI=1S/C20H12N2O4/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)
- InChIKey
- AFYNADDZULBEJA-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2)C(C(O)=O)=CC=1C1C=C(C(O)=O)C2C(N=1)=CC=CC=2
- CAS Datenbank
- 1245 · 1245-13-2(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · [2,2'-Biquinoline]-4,4'-dicarboxylic acid (1245-13-2)
Sicherheit und Regulatorisches
Gefahrenhinweise
Regulatorische Informationen
Sicherheitsdaten
- F
- 8-10
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29334900
- risk_code
- 36
- safety_code
- 22-24/25-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Verwendung und Herstellung
Anwendungen
Verwenden2,2′-Biquinoline-4,4′-dicarboxylic acid has been used in a study that synthesized and structurally characterized six metal-organic coordination polymers.
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