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CAS No.: | 178372-19-5 |
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Name: | 2-(3-(pyridin-2-yl)pyrrolidin-3-yl)ethanol |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C11H16N2O |
Molecular Weight: | 192.26 |
Synonyms: | 3-Pyrrolidineethanol, 3-(2-pyridinyl)-; |
Density: | 1.094 g/cm3 |
Boiling Point: | 353.2 °C at 760 mmHg |
Flash Point: | 167.4 °C |
PSA: | 45.15000 |
LogP: | 1.02390 |
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The systematic name of 2-(3-(Pyridin-2-yl)pyrrolidin-3-yl)ethanol is 2-[3-(pyridin-2-yl)pyrrolidin-3-yl]ethanol. With the CAS registry number 178372-19-5, it is also named as 3-Pyrrolidineethanol, 3-(2-pyridinyl)-. In addition, its molecular formula is C11H16N2O and its molecular weight is 192.26.
The other characteristics of 2-(3-(Pyridin-2-yl)pyrrolidin-3-yl)ethanol can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 45.15 Å2; (10)Index of Refraction: 1.539; (11)Molar Refractivity: 55.09 cm3; (12)Molar Volume: 175.6 cm3; (13)Polarizability: 21.84×10-24cm3; (14)Surface Tension: 49.4 dyne/cm; (15)Density: 1.094 g/cm3; (16)Flash Point: 167.4 °C; (17)Enthalpy of Vaporization: 63.12 kJ/mol; (18)Boiling Point: 353.2 °C at 760 mmHg; (19)Vapour Pressure: 1.34E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: OCCC1(CCNC1)c2ccccn2
(2)InChI: InChI=1/C11H16N2O/c14-8-5-11(4-7-12-9-11)10-3-1-2-6-13-10/h1-3,6,12,14H,4-5,7-9H2
(3)InChIKey: VSUWWLTVSILUNB-UHFFFAOYAK