4-Aminoquinoline

HCID 68476CAS 578-68-7

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Grundinformationen

Standard-SMILES: Nc1ccnc2ccccc12
InChIKey: FQYRLEXKXQRZDH-UHFFFAOYSA-N
Summenformel: C9H8N2
Durchschnittliche Molmasse: 144,17 g/mol
Monoisotopische Masse: 144,06874826

Namen und Bezeichner

Bevorzugter Name: 4-Aminoquinoline
IUPAC: quinolin-4-amine
Englischer Name: 4-Aminoguinoline
Summenformel: C9H8N2
Molmasse: 144.17

Namen und Synonyme

4-Aminoquinoline578-68-74-QuinolinamineGTE5P5L97NDTXSID70206491RefChem:518302DTXCID70128982640-116-4quinolin-4-amine4-AminoguinolineQuinoline, 4-amino-MFCD00463448

Weitere Namen anzeigen

4(1H)-Quinolinimine4-Aminoquinoline 95+%4-Aminoquinoline ,98%4-Aminoquinoline, 97.5%

4-quinolylamine139266-00-5Quinolin-4-ylamineCCRIS 1679UNII-GTE5P5L97N4(1H)-Quinolinimine(9CI)4-quinolinylamine4-amino quinoline

Datenbank-Bezeichner

CAS: 578-68-7
PubChem CID: 68476
DTXSID: DTXSID70206491
ChEMBL: CHEMBL58146
UNII: GTE5P5L97N
EC Number: 640-116-4
Nikkaji: J1.803.795E、J79.669G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: 151 and · 151.0 and le 155.0 °C
Siedepunkt: 312.78 °C · 312.78°C (estimate)
Dichte: 1.1148 · 1.1148 (estimate)
Brechungsindex: 1.708 · 1.7080 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystalline
pka: 9.17 · 9.17(at 20℃)
Farbe: White to Yellow to Orange
InChI: InChI=1S/C9H8N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H2,10,11)
InChIKey: FQYRLEXKXQRZDH-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2)C(N)=CC=1
CAS Datenbank: 578 · 578-68-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (93%)；Skin Irrit. 2 (11.6%)；Eye Irrit. 2A (100%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 2811
hs_code: 29334900
risk_code: 20/21/22-36/37/38-36-22-41
hazard_code: Xn
safety_code: 26-36/37/39-39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationAgents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)

Anwendungen

Verwenden4-Quinolinamine and its derivatives are commonly used as anti-malarial drugs and also have potential therapeutic effects on patients afflicted with arthritis (and/or related diseases).