Products Categories
CAS No.: | 106916-16-9 |
---|---|
Name: | N-DESPROPYL ROPINIROLE |
Molecular Structure: | |
Formula: | C13H18N2O |
Molecular Weight: | 218.29 |
Synonyms: | 4-[2-(Propylamino)ethyl]-1,3-dihydro-2H-indol-2-one;1,3-Dihydro-4-[2-(propylamino)ethyl]-2H-indol-2-one;SKF 104557; |
Density: | 1.08 g/cm3 |
Melting Point: | 260-265 °C |
Boiling Point: | 387.68 °C at 760 mmHg |
Flash Point: | 154.182 °C |
Appearance: | Tan solid |
PSA: | 41.13000 |
LogP: | 2.25220 |
What can I do for you?
Get Best Price
The 2H-Indol-2-one,1,3-dihydro-4-[2-(propylamino)ethyl]- with CAS registry number of 106916-16-9 is also known as N-Despropyl ropinirole. The systematic name is 4-[2-(Propylamino)ethyl]-1,3-dihydro-2H-indol-2-one. It belongs to product categories of Indole Derivatives; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. In addition, the formula is C13H18N2O and the molecular weight is 218.29. What's more, it is a tan solid and it is used as a metabolite of ropinirole.
Physical properties about 2H-Indol-2-one,1,3-dihydro-4-[2-(propylamino)ethyl]- are: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 64.337 cm3; (13)Molar Volume: 202.209 cm3; (14)Surface Tension: 41.33 dyne/cm; (15)Density: 1.08 g/cm3; (16)Flash Point: 154.182 °C; (17)Enthalpy of Vaporization: 63.678 kJ/mol; (18)Boiling Point: 387.68 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
1. SMILES: O=C2Nc1cccc(c1C2)CCNCCC
2. InChI: InChI=1/C13H18N2O/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12/h3-5,14H,2,6-9H2,1H3,(H,15,16)
3. InChIKey: VKDWFHAQOZYATG-UHFFFAOYAH
4. Std. InChI: InChI=1S/C13H18N2O/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12/h3-5,14H,2,6-9H2,1H3,(H,15,16)
5. Std. InChIKey: VKDWFHAQOZYATG-UHFFFAOYSA-N