1-(4-Amino-2-methylquinolin-3-yl)ethanone

Ethanone,1-(4-aMino-2-Methyl-3-quinolinyl)- · 1-(4-amino-2-methylquinolin-3-yl)ethan-1-one · 1-(4-amino-2-methylquinolin-3-yl)ethan-1-one - [A93168]

https://huagongshe.com/de/chemical/672297

Molekülstruktur von 1-(4-Amino-2-methylquinolin-3-yl)ethanone

Identifikatoren & physikalische Daten

CAS No.	71993-15-2
Summenformel	C12H12N2O
Durchschnittliche Molmasse	200,24 g/mol
Monoisotopische Masse	200,09496301 g/mol
SMILES	CC(=O)c1c(C)nc2ccccc2c1N
InChIKey	YFGFFNPPTDOYLI-UHFFFAOYSA-N
PubChem CID	672297
ChEMBL	CHEMBL1531257
ChEBI	CHEBI:111296
EC No.	979-599-4
DTXSID	DTXSID40350051

Chemische & physikalische Eigenschaften

XLogP	2,1
Polarare Oberfläche (TPSA)	56
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	15
Formalladung	0
Komplexität	254
Schmelzpunkt	151-153 °C(Solv: benzene (71-43-2))
Siedepunkt	369.3±37.0 °C(Predicted)
Dichte	1.200±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	7.68±0.50(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

GHS-Einstufung

WarningH302 (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 exposureRespiratory 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)