4-(4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthryl)phenyl ethyl carbonate

Einecs 240-666-1 · 4-(4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthryl)phenyl ethyl carbonate · Carbonic acid, 4-(4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthracenyl)phenyl ethyl ester · Carbonic acid 4-[(4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxoanthracen)-2-yl]phenyl=ethyl ester

https://huagongshe.com/de/chemical/85516

Molekülstruktur von 4-(4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthryl)phenyl ethyl carbonate

Identifikatoren & physikalische Daten

CAS No.	16618-09-0
Summenformel	C23H18N2O7
Durchschnittliche Molmasse	434,4 g/mol
Monoisotopische Masse	434,11140092 g/mol
SMILES	CCOC(=O)Oc1ccc(-c2cc(N)c3c(c2O)C(=O)c2c(N)ccc(O)c2C3=O)cc1
InChIKey	YVTLJQCBKZMKOJ-UHFFFAOYSA-N
PubChem CID	85516
EC No.	240-666-1
DTXSID	DTXSID60168079

Chemische & physikalische Eigenschaften

XLogP	4
Polarare Oberfläche (TPSA)	162
H-Brücken-Donoren	4
H-Brücken-Akzeptoren	9
Frei drehbare Bindungen	5
Schwere Atome	32
Formalladung	0
Komplexität	738
Siedepunkt	762.5±60.0 °C(Predicted)
Dichte	1.517±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	5.39±0.20(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	Not Classified
Regulatorische Informationen	Chemical: Carbonic acid, 4-(4,8-diamino-9.10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthracenyl)phenyl ethyl ester
Hazard Classes and Categories	Not Classified