1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

Ethyl 1-Boc-4-Oxopyrrolidine-3-carboxylate · O1-tert-Butyl O3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate · 1-Bo · EOPC · Ethyl 1-Boc-4-Oxopyrrolid... · Ethyl N-Boc-4-Oxopyrrolidine-3-carboxylate · EOPC Ethyl N-Boc-4-Oxopyrrolidine-3-carboxylate · Ethyl N-Boc-4-Oxopyrrolidine-3-carboxylate(EOPC)

https://huagongshe.com/de/chemical/10868942

Molekülstruktur von 1-tert-Butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

Identifikatoren & physikalische Daten

CAS No.	146256-98-6
Summenformel	C12H19NO5
Durchschnittliche Molmasse	257,28 g/mol
Monoisotopische Masse	257,12632271 g/mol
SMILES	CCOC(=O)C1CN(C(=O)OC(C)(C)C)CC1=O
InChIKey	CWRFSVAKVCSOPI-UHFFFAOYSA-N
PubChem CID	10868942
EC No.	808-003-6
DTXSID	DTXSID50446535

Chemische & physikalische Eigenschaften

XLogP	1,2
Polarare Oberfläche (TPSA)	72,9
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	5
Schwere Atome	18
Formalladung	0
Komplexität	358
Schmelzpunkt	54.0 to 59.0 °C
Siedepunkt	120°C/0.4mmHg(lit.)
Dichte	1.182
Lagerbedingungen	Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	11.19±0.20(Predicted)
Farbe	White to Light yellow
InChI	InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-13(7-9(8)14)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3
InChIKey	CWRFSVAKVCSOPI-UHFFFAOYSA-N
SMILES	N1(C(OC(C)(C)C)=O)CC(=O)C(C(OCC)=O)C1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (33.3%)
Zollcode	29339900
R-Sätze (R)	36/38
Sicherheitshinweise (S)	36
Gefahrenklasse	IRRITANT