Grundinformationen
- Standard-SMILES
Nc1ccc(N2CCOCC2=O)cc1- InChIKey
MHCRLDZZHOVFEE-UHFFFAOYSA-N- Summenformel
- C10H12N2O2
- Durchschnittliche Molmasse
- 192,21 g/mol
- Monoisotopische Masse
- 192,08987762
Namen und Bezeichner
- Bevorzugter Name
- 4-(4-Aminophenyl)morpholin-3-one
- IUPAC
- 4-(4-aminophenyl)morpholin-3-one
- Englischer Name
- 4-(4-AMINOPHENYL)MORPHOLIN-3-ONE
- Summenformel
- C10H12N2O2
- Molmasse
- 192.21
Namen und Synonyme
4-(4-aminophenyl)morpholin-3-one438056-69-0DTXSID90458314RefChem:513837DTXCID80409133610-147-84-(4-aminophenyl)-3-Morpholinone3-Morpholinone, 4-(4-aminophenyl)-MFCD08236742C10H12N2O2Rivaroxaban Impurity 64H6N2PY6WST
Weitere Namen anzeigen
Rivaroxaban InterMediate4-(4-AMINO PHENYL)MORPHOLINE-3-ONE4-(4-aMinophenyl)Morpholine-3- ketonein-3-one2-Amino-11-picoline4-(4-aminophenyl)morRivaroxaban Impurity 37Rivaroxaban intermdiateAminophenylmorpholinone
4-(3-Oxomorpholino)aniline4-(3-OXO-4-MORPHOLINYL)ANILINE4-(4-Morpholin-3-onyl)anilineN-(4-Aminophenyl)-3-morpholinone4-(4-aminophenyl) morpholin-3-oneAKOS006284751AC-2721HE-0208
Datenbank-Bezeichner
- CAS
438056-69-0- PubChem CID
- 11194854
- DTXSID
DTXSID90458314- UNII
- H6N2PY6WST
- EC Number
- 610-147-8
- Nikkaji
- J2.551.238C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 55,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 212
Physikochemische Eigenschaften
- Schmelzpunkt
- 171 to · 171.0 to 175.0 °C
- Siedepunkt
- 502.3 · 502.3±45.0 °C(Predicted)
- Dichte
- 1.268 · 1.268
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Heated)
- Aggregatzustand
- Solid
- pka
- 4.85 · 4.85±0.10(Predicted)
- Farbe
- White to Light Brown
- Wasserlöslichkeit
- 16.6 g/L · 16.6g/L at 20℃
- Major Application
- pharmaceutical
- InChI
- InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2
- InChIKey
- MHCRLDZZHOVFEE-UHFFFAOYSA-N
- SMILES
- N1(C2=CC=C(N)C=C2)CCOCC1=O
- LogP
- -0.8 at · -0.8 at 25℃
- CAS Datenbank
- 438056 · 438056-69-0
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (24%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 25 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Cease Manufacture Update: 06-02-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6284
Hazard Classes and CategoriesSkin Irrit. 2 (24%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 29349990
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 3
Chemie und Industrie
Anwendungen
Verwenden4-(4-AMINOPHENYL)MORPHOLIN-3-ONE is used in the preparation of various Morpholine based pharmaceuticals.
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