Naproxen ethyl ester

Naproxen Impurity F · Naproxen Ethyl Ester · Naproxen EP IMpurity F · (+)-Naproxen Ethyl Ester · (S)-Naproxen Ethyl Ester · Ethyl (2S)-2-(6-Methoxynaphthalen-2 · Naproxen Impurity 6（Naproxen EP Impurity F） · Ethyl (S)-2-(6-Methoxy-2-naphthyl)propanoate

https://huagongshe.com/de/chemical/711615

Molekülstruktur von Naproxen ethyl ester

Identifikatoren & physikalische Daten

CAS No.	31220-35-6
Summenformel	C16H18O3
Durchschnittliche Molmasse	258,31 g/mol
Monoisotopische Masse	258,12559443 g/mol
SMILES	CCOC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIKey	URNAYRDBUUZOIU-NSHDSACASA-N
PubChem CID	711615
EC No.	641-915-0
DTXSID	DTXSID20185146

Chemische & physikalische Eigenschaften

XLogP	3,5
Polarare Oberfläche (TPSA)	35,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	5
Schwere Atome	19
Formalladung	0
Komplexität	302
Schmelzpunkt	82-84oC
Siedepunkt	361.57°C (rough estimate)
Dichte	1.1090 (rough estimate)
Brechungsindex	1.5400 (estimate)
Lagerbedingungen	Refrigerator
Löslichkeit	Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)1.2mg/L(21 ºC)
Aggregatzustand	Solid
Farbe	White to Off-White
Hauptanwendungen	pharmaceutical small molecule
InChI	1S/C16H18O3/c1-4-19-16(17)11(2)12-5-6-14-10-15(18-3)8-7-13(14)9-12/h5-11H,4H2,1-3H3/t11-/m0/s1
InChIKey	URNAYRDBUUZOIU-NSHDSACASA-N
SMILES	C[C@H](C(OCC)=O)C1=CC2=CC=C(OC)C=C2C=C1

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, 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 (100%)
Wassergefährdungsklasse (WGK)	WGK 3
Lagerklasse	13 - Non Combustible Solids

Anwendungen & Verwendung

Verwenden

Naproxen (N377520) ethyl derivative. Naproxen impurity.