tert-Butyl 3-[(dimethylamino)methylidene]-4-oxopyrrolidine-1-carboxylate
Grundinformationen
- CAS
157327-42-9- Standard-SMILES
CN(C)C=C1CN(C(=O)OC(C)(C)C)CC1=O- InChIKey
NICVZJAVRBPUME-UHFFFAOYSA-N- Summenformel
- C12H20N2O3
- Durchschnittliche Molmasse
- 240,3 g/mol
- Monoisotopische Masse
- 240,1473925
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl 3-[(dimethylamino)methylidene]-4-oxopyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-(dimethylaminomethylidene)-4-oxopyrrolidine-1-carboxylate
- Englischer Name
- (E)-tert-Butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate
- Summenformel
- C12H20N2O3
- Molmasse
- 240.3
Namen und Synonyme
157327-42-9TERT-BUTYL 3-((DIMETHYLAMINO)METHYLENE)-4-OXOPYRROLIDINE-1-CARBOXYLATEtert-Butyl 3-[(dimethylamino)methylidene]-4-oxopyrrolidine-1-carboxylatetert-butyl (3E)-3-(dimethylaminomethylidene)-4-oxopyrrolidine-1-carboxylatetert-Butyl3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylatetert-butyl (Z)-3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylateSCHEMBL1528547tert-butyl (3Z)-3-(dimethylaminomethylidene)-4-oxopyrrolidine-1-carboxylatetert-Butyl 3-[(dimethylamino)methylene]-4-oxopyrrolidine-1-carboxylateDTXSID20697017NICVZJAVRBPUME-UHFFFAOYSA-Ntert-butyl 3-(dimethylaminomethylidene)-4-oxopyrrolidine-1-carboxylate
Weitere Namen anzeigen
tert-Butyl 3-((dimethylamino)methylene)-4-oxo...1-Boc-3-((dimethylamino)methylene)-4-oxopyrrolidine3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylatetert-butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-c...(E)-tert-Butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate3-DiMethylaMinoMethylene-4-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester3-(diMethylaMinoMethylidene)-4-oxo-1-pyrrolidinecarboxylic acid tert-butyl ester1-Pyrrolidinecarboxylic acid, 3-[(dimethylamino)methylene]-4-oxo-, 1,1-dimethylethyl ester
AKOS028114894CS-W0000043-[1-dimethylamino-methylidene]-4-oxo-pyrrolidine-1-carboxylic acid tert-butyl esterDB-012902tert-butyl 3-((di-methyl-amino)methylene)-4-oxopyrrolidine-1-carboxylatetert-butyl 3-(dimethylaminomethylene)-4-oxo-pyrrolidine-1-carboxylate1-?Pyrrolidinecarboxyli?c acid, 3-?[(dimethylamino)?methylene]?-?4-?oxo-?, 1,?1-?dimethylethyl ester
Datenbank-Bezeichner
- CAS
157327-42-9- PubChem CID
- 53415260
- DTXSID
DTXSID20697017
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 49,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 353
Physikochemische Eigenschaften
- Siedepunkt
- 341 · 341.0±42.0 °C(Predicted)
- Dichte
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.25 · 5.25±0.20(Predicted)
Sicherheit und Regulatorisches
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
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