Grundinformationen
- Standard-SMILES
O=C1Cc2c(CCO)cccc2N1- InChIKey
QRTHVOUKWCEPKJ-UHFFFAOYSA-N- Summenformel
- C10H11NO2
- Durchschnittliche Molmasse
- 177,2 g/mol
- Monoisotopische Masse
- 177,07897859
Namen und Bezeichner
- Bevorzugter Name
- 4-(2-Hydroxyethyl)indolin-2-one
- IUPAC
- 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one
- Englischer Name
- 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indole-2-one
- Summenformel
- C10H11NO2
- Molmasse
- 177.2
Namen und Synonyme
139122-19-34-(2-Hydroxyethyl)indolin-2-one1,3-Dihydro-4-(2-hydroxyethyl)-2H-Indol-2-one6YTE425882DTXSID4012516864-(2-HYDROXYETHYL)-1,3-DIHYDRO-2H-INDOL-2-ONEROPINIROLE HYDROCHLORIDE IMPURITY F [EP IMPURITY]ROPINIROLE HYDROCHLORIDE IMPURITY F (EP IMPURITY)RefChem:512519DTXCID001682479801-080-7925-636-4
Weitere Namen anzeigen
Ropinirole USP RC A4-(2-HYDROXYETHOXY)INDOLERopinirole Intermediate 5Ropinirole USP impurity A4-(2-YDROXYETHYL)OXYINDOLERopinirol Related Compound A
4-(2-hydroxyethyl)oxyindole1,3-Dihydro-4-(2-hydroxyethyl)-2H-indole-2-one4-(2-hydroxyethyl)oxindole4-(2-hydroxyethyl)-1,3-dihydroindol-2-oneRopinirole EP Impurity F2H-Indol-2-one, 1,3-dihydro-4-(2-hydroxyethyl)-4-(2-Hydroxyethyl)-1,3-dihydro-2H-indolin-2-oneMFCD07782133
Datenbank-Bezeichner
- CAS
139122-19-3- PubChem CID
- 10943004
- DTXSID
DTXSID401251686- UNII
- 6YTE425882
- EC Number
- 801-080-7、925-636-4
- Nikkaji
- J3.514.493E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 49,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 205
Physikochemische Eigenschaften
- Schmelzpunkt
- 148 · 148-150°C
- Siedepunkt
- 390 · 390.0±42.0 °C(Predicted)
- Dichte
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 14.08 · 14.08±0.20(Predicted)
- Farbe
- Pale Beige to Brown
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C10H11NO2/c12-5-4-7-2-1-3-9-8(7)6-10(13)11-9/h1-3,12H,4-6H2,(H,11,13)
- InChIKey
- QRTHVOUKWCEPKJ-UHFFFAOYSA-N
- CAS Datenbank
- 139122 · 139122-19-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Danger
H317 (95.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 08-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/8265
Hazard Classes and Categories
Skin Sens. 1 (95.1%)
Not Classified
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933790002
- risk_code
- 42/43
- hazard_code
- Xi
- safety_code
- 36/37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Resp. Sens. 1Skin Sens. 1
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