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CAS No.: | 139122-19-3 |
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Name: | 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indole-2-one |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C10H11NO2 |
Molecular Weight: | 177.203 |
Synonyms: | 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one;4-(2-Hydroxyethyl)-1,3-dihydroindol-2-one;2H-indol-2-one, 1,3-dihydro-4-(2-hydroxyethyl)-;4-(2-Hydroxyethyl)-1,3-dihydro-2H-indol-2-one; |
EINECS: | 1312995-182-4 |
Density: | 1.253 g/cm3 |
Melting Point: | 148-150 °C |
Boiling Point: | 390.019 °C at 760 mmHg |
Flash Point: | 189.677 °C |
Appearance: | Yellow solid |
Hazard Symbols: | Xi |
Risk Codes: | 42/43 |
Safety: | 36/37 |
PSA: | 49.33000 |
LogP: | 0.85400 |
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The 2H-Indol-2-one,1,3-dihydro-4-(2-hydroxyethyl)-, with the CAS registry number 139122-19-3, has the systematic name of 4-(2-hydroxyethyl)-1,3-dihydro-2H-indol-2-one. It belongs to the following product categories: Pharmaceutical material and intermeidates; Indoles; Aromatics Compounds; Aromatics; Heterocycles; Indole Derivatives. And the molecular formula of this chemical is C10H11NO2. What's more, it is usually used as Ropinirole Intermediate.
The physical properties of 2H-Indol-2-one,1,3-dihydro-4-(2-hydroxyethyl)- are as following: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34; (8)ACD/KOC (pH 7.4): 34; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 48.378 cm3; (15)Molar Volume: 141.378 cm3; (16)Polarizability: 19.179×10-24cm3; (17)Surface Tension: 52.878 dyne/cm; (18)Density: 1.253 g/cm3; (19)Flash Point: 189.677 °C; (20)Enthalpy of Vaporization: 67.442 kJ/mol; (21)Boiling Point: 390.019 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCc1cccc2NC(=O)Cc12
(2)InChI: InChI=1/C10H11NO2/c12-5-4-7-2-1-3-9-8(7)6-10(13)11-9/h1-3,12H,4-6H2,(H,11,13)
(3)InChIKey: QRTHVOUKWCEPKJ-UHFFFAOYAB