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CAS No.: | 52423-63-9 |
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Name: | 2-(3-PHENYLPYRROLIDIN-3-YL)ETHANOL |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C12H17NO |
Molecular Weight: | 191.273 |
Synonyms: | 2-(3-Phenylpyrrolidin-3-yl)ethanol;3-pyrrolidineethanol, 3-phenyl-;LogP |
Density: | 1.048 g/cm3 |
Melting Point: | 111 °C |
Boiling Point: | 328.8 °C at 760 mmHg |
Flash Point: | 128.3 °C |
PSA: | 32.26000 |
LogP: | 1.62890 |
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The 3-Phenyl-3-pyrrolidineethanol with its cas register number is 52423-63-9. The Systematic name about this chemical is 2-(3-phenylpyrrolidin-3-yl)ethanol.
Physical properties about 3-Phenyl-3-pyrrolidineethanol are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 2; (6) #H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 32.26Å2; (9)Index of Refraction: 1.537; (10)Molar Refractivity: 57 cm3; (11)Molar Volume: 182.4 cm3; (12)Polarizability: 22.59x10-24cm3; (13)Surface Tension: 44.6 dyne/cm; (14)Enthalpy of Vaporization: 60.3 kJ/mol; (15)Vapour Pressure: 7.45E-05 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: OCCC1(CCNC1)c2ccccc2
(2)InChI: InChI=1/C12H17NO/c14-9-7-12(6-8-13-10-12)11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
(3)InChIKey: JBGZJQULYGMJGT-UHFFFAOYAQ