Benzenamine, 4-(4-(4-methoxyphenyl)-1-piperazinyl)-

AKOS B033041 · Compound PDK0356 · 4-(4-(4-Methoxyphenyl) · Itraconazole Impurity 25 · Posaconazole Impurity 108 · 4-[4-(4-methoxyphenyl)-1-piperazinyl]aniline · 1-(4-METHOXYPHENYL)-4-(4-AMINOPHENYL)PIPERAZINE · 1-(4-METHOXYPHEAYL)-4-(4-AMINOPHENYL)PIPERAZINE

https://huagongshe.com/de/chemical/154406

Molekülstruktur von Benzenamine, 4-(4-(4-methoxyphenyl)-1-piperazinyl)-

Identifikatoren & physikalische Daten

CAS No.	74852-62-3
Summenformel	C17H21N3O
Durchschnittliche Molmasse	283,37 g/mol
Monoisotopische Masse	283,16846229 g/mol
SMILES	COc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1
InChIKey	VXEGSRKPIUDPQT-UHFFFAOYSA-N
PubChem CID	154406
EC No.	616-146-9
DTXSID	DTXSID00225817

Chemische & physikalische Eigenschaften

XLogP	2,9
Polarare Oberfläche (TPSA)	41,7
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	3
Schwere Atome	21
Formalladung	0
Komplexität	301
Schmelzpunkt	186 °C
Siedepunkt	506.7±50.0 °C(Predicted)
Dichte	1.165±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	Chloroform (Slightly), Dichloromethane (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	7.69±0.10(Predicted)
Farbe	Dark Purple to Dark Grey
InChI	InChI=1S/C17H21N3O/c1-21-17-8-6-16(7-9-17)20-12-10-19(11-13-20)15-4-2-14(18)3-5-15/h2-9H,10-13,18H2,1H3
InChIKey	VXEGSRKPIUDPQT-UHFFFAOYSA-N
SMILES	C1(N)=CC=C(N2CCN(C3=CC=C(OC)C=C3)CC2)C=C1
CAS Datenbank	74852-62-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (50%)
Zollcode	2933599590

Anwendungen & Verwendung

Verwenden

4-[4-(4-Methyloxy-phenyl)-piperazin-1-yl]-phenylamine, is an intermediate for the synthesis of Itraconazole (I937500), an Antifungal.