2-heptyl-3-hydroxy-3H-quinolin-4-one
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Grundinformationen
- CAS
108985-27-9- Standard-SMILES
CCCCCCCC1=Nc2ccccc2C(=O)C1O- InChIKey
IRNQEHWHRAZAPL-UHFFFAOYSA-N- Summenformel
- C16H21NO2
- Durchschnittliche Molmasse
- 259,349 g/mol
- Monoisotopische Masse
- 259,15722891
Namen und Bezeichner
- Bevorzugter Name
- 2-heptyl-3-hydroxy-3H-quinolin-4-one
- IUPAC
- 2-Heptyl-3-hydroxyquinolin-4(3H)-one
- Englischer Name
- 2-Heptyl-3-hydroxy-4-quinolone
- Summenformel
- C16H21NO2
- Molmasse
- 259.34
Namen und Synonyme
PQSZZR Impurity 141Pseudomonas quinolone signal2-Heptyl-3-hydroxy-4-quinolone2-Heptyl-3-hydroxyl-4-quinolone2-Heptyl-3-hydroxy-4-quinolinone2-heptyl-3-hydroxy-4-quinolineonePseudomonas Quinolone Signal, PQS2-Heptyl-3-hydroxy-4(1H)-quinolone2-Heptyl-3-hydroxy-4(1H)-quinolinone
Datenbank-Bezeichner
- CAS
108985-27-9- PubChem CID
- 443441
- DTXSID
DTXSID10332086- EC Number
- 663-955-8
- Nikkaji
- J147.303D
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 182 · 182-185℃
- Siedepunkt
- 389.4 · 389.4±42.0 °C(Predicted)
- Dichte
- 1.102 · 1.102
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Methanol: soluble
- Aggregatzustand
- A solid
- pka
- 11 · 11.00±0.20(Predicted)
- Farbe
- White to light brown
- InChI
- 1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18)
- InChIKey
- CEIUIHOQDSVZJQ-UHFFFAOYSA-N
- SMILES
- CCCCCCCC1=C(O)C(=O)c2ccccc2N1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 4
Chemie und Industrie
Anwendungen
VerwendenQuorum sensing is a signaling system used by bacteria to coordinate activity based upon their population density. The system involves the exchange of signaling molecules among bacteria via cell receptors. Heptyl-3-hydroxy-4(1H)-quinolone (PQS) is a quorum sensing-regulated virulence factor used to induce and study the regulation of virulence genes such as those involved in iron scavenging.
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