2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole

2-(4-BrPh)-Oxazoline · 4,4-DiMethyl-2-(4-broMophenyl)-2-oxazoline · 2-(4-Bromo-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole · Oxazole, 2-(4-bromophenyl)-4,5-dihydro-4,4-dimethyl- · 2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole

https://huagongshe.com/de/chemical/403395

Molekülstruktur von 2-(4-Bromophenyl)-4,4-dimethyl-4,5-dihydrooxazole

Identifikatoren & physikalische Daten

CAS No.	32664-14-5
Summenformel	C11H12BrNO
Durchschnittliche Molmasse	254,12 g/mol
Monoisotopische Masse	253,0102261 g/mol
SMILES	CC1(C)COC(c2ccc(Br)cc2)=N1
InChIKey	GXWMQSSSRSHOBL-UHFFFAOYSA-N
PubChem CID	403395
DTXSID	DTXSID80328032

Chemische & physikalische Eigenschaften

XLogP	2,7
Polarare Oberfläche (TPSA)	21,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	14
Formalladung	0
Komplexität	242
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Chloroform, DCM, Ethyl Acetate
Aggregatzustand	Solid
Farbe	White
InChI	InChI=1S/C11H12BrNO/c1-11(2)7-14-10(13-11)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKey	GXWMQSSSRSHOBL-UHFFFAOYSA-N
SMILES	O1CC(C)(C)N=C1C1=CC=C(Br)C=C1

Sicherheit & Vorschriften

Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Anwendungen & Verwendung

Verwenden

4,4-Dimethyl-2-(4-bromophenyl)-2-oxazoline is an potential substituent in the synthesis of new series of potent benzodiazepine γ-secretase inhibitors with potential use in the treatment of Alzheimer’s disease.