Grundinformationen
- Standard-SMILES
O=C1COCCN1- InChIKey
VSEAAEQOQBMPQF-UHFFFAOYSA-N- Summenformel
- C4H7NO2
- Durchschnittliche Molmasse
- 101,1 g/mol
- Monoisotopische Masse
- 101,04767847
Namen und Bezeichner
- Bevorzugter Name
- 3-Morpholinone
- IUPAC
- morpholin-3-one
- Lokaler Name
- Morpholin-3-on
- Englischer Name
- morpholin-3-one
- Summenformel
- C4H7NO2
- Molmasse
- 101.1
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
109-11-5- PubChem CID
- 66953
- DTXSID
DTXSID3074444- UNII
- V6P29M33NG
- EC Number
- 203-647-9
- Nikkaji
- J193.575E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,8
- Polarare Oberfläche (TPSA)
- 38,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 81
Physikochemische Eigenschaften
- Schmelzpunkt
- 103 to · 103.0 to 107.0 °C
- Siedepunkt
- 142 °C/7mmHg · 142°C/7mmHg(lit.)
- Dichte
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 14.37 · 14.37±0.20(Predicted)
- Farbe
- White to Almost white
- InChI
- InChI=1S/C4H7NO2/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)
- InChIKey
- VSEAAEQOQBMPQF-UHFFFAOYSA-N
- SMILES
- N1CCOCC1=O
- CAS Datenbank
- 109 · 109-11-5(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · 3-Morpholinone (109-11-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 66.2% (104 of 157) of all reports.
Danger
H302 (33.1%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (26.8%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (26.1%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (31.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (26.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 157 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 104 of 157 reports by companies.;There are 8 notifications provided by 53 of 157 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- hs_code
- 29349990
- safety_code
- 24/25
Chemie und Industrie
Anwendungen
Beschreibung3-ketomorpholine is also known as morpholin-3-one. It is useful pharmacological intermediate. Recent studies have shown that some morpholin-3-one derivatives could effectively cause cell cycle arrest at G1 phase, increase the levels of P53 and Fas, and induce A549 cell apoptosis in lung cancer. This indicates it might be a useful tool for elucidating the molecular mechanism of lung cancer cell apoptosis and might also be potential anti-cancer drugs. Some of its derivatives have been proven to be useful for the prevention and treatment of arteriosclerosis and hypertriglyceridemia.
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