1-(Isoquinolin-5-yl)ethan-1-one

HCID 20493469

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 54415-44-0
Standard-SMILES: CC(=O)c1cccc2cnccc12
InChIKey: NPBRCLXBIDDEHK-UHFFFAOYSA-N
Summenformel: C11H9NO
Durchschnittliche Molmasse: 171,19 g/mol
Monoisotopische Masse: 171,06841391

Namen und Bezeichner

Bevorzugter Name: 1-(Isoquinolin-5-yl)ethan-1-one
IUPAC: 1-isoquinolin-5-ylethanone
Englischer Name: 1-(isoquinolin-5-yl)ethanone
Summenformel: C11H9NO
Molmasse: 171.2

Namen und Synonyme

54415-44-01-(isoquinolin-5-yl)ethan-1-oneRefChem:427910985-096-01-(ISOQUINOLIN-5-YL)ETHANONE1-isoquinolin-5-ylethanoneMFCD106992371-(5-Isoquinolinyl)ethanoneSCHEMBL1828133SCHEMBL30098456NPBRCLXBIDDEHK-UHFFFAOYSA-NBDBM753559

Weitere Namen anzeigen

Ethanone, 1-(5-isoquinolinyl)-

ECA41544US12338238, Example 79AKOS012108436AT33391DB-146665EN300-1587407Z1021312666

Datenbank-Bezeichner

CAS: 54415-44-0
PubChem CID: 20493469
EC Number: 985-096-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 202

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.