2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile

HCID 44512896

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Grundinformationen

CAS: 1029714-87-1
Standard-SMILES: N#Cc1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIKey: DCHLMGJQDKHZLO-UHFFFAOYSA-N
Summenformel: C22H13FN6
Durchschnittliche Molmasse: 380,4 g/mol
Monoisotopische Masse: 380,1185726

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile
IUPAC: 2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile
Englischer Name: 2-fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzonitrile
Summenformel: C22H13FN6
Molmasse: 380.38

Namen und Synonyme

2-Fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzonitrile2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile2-Fluoro-4-(7-(quinolin-6-ylmethyl)imidazo(1,2-b)(1,2,4)triazin-2-yl)benzonitrileRefChem:472308812-406-21029714-87-1Benzonitrile, 2-fluoro-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-JZ89E357LDSCHEMBL1697118DCHLMGJQDKHZLO-UHFFFAOYSA-NDTXSID001035662DB-182156

Weitere Namen anzeigen

2-Fluoro-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile2-Fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzo-nitrile

Datenbank-Bezeichner

CAS: 1029714-87-1
PubChem CID: 44512896
DTXSID: DTXSID001035662
UNII: JZ89E357LD
EC Number: 812-406-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 79,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 3
Schwere Atome: 29
Formalladung: 0
Komplexität: 622

Physikochemische Eigenschaften

Dampfdruck: 0.002 · 0.002-0.007Pa at 20-25℃
LogP: 2.9 at · 2.9 at 20℃ and pH7

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.