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CAS No.: | 5424-61-3 |
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Name: | 1-(4-Nitrophenyl)-3-(piperidin-1-yl)propan-1-ol |
Molecular Structure: | |
Formula: | C14H20N2O3 |
Molecular Weight: | 264.32 |
Synonyms: | 1-Piperidinepropanol, α-(4-nitrophenyl)-; |
Density: | 1.188 g/cm3 |
Boiling Point: | 427.5 °C at 760 mmHg |
Flash Point: | 212.4 °C |
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This product is an organic compound with the formula C14H20N2O3. The systematic name of this chemical is 1-(4-Nitrophenyl)-3-(piperidin-1-yl)propan-1-ol. With the CAS registry number 5424-61-3, it is also named as 1-Piperidinepropanol, α-(4-nitrophenyl)-. In addition, the molecular weight is 264.32.
Physical properties of 1-(4-Nitrophenyl)-3-(piperidin-1-yl)propan-1-ol are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 58.29 Å2; (7)Index of Refraction: 1.571; (8)Molar Refractivity: 73.15 cm3; (9)Molar Volume: 222.3 cm3; (10)Polarizability: 29×10-24cm3; (11)Surface Tension: 50.5 dyne/cm; (12)Density: 1.188 g/cm3; (13)Flash Point: 212.4 °C; (14)Enthalpy of Vaporization: 71.95 kJ/mol; (15)Boiling Point: 427.5 °C at 760 mmHg; (16)Vapour Pressure: 4.53E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)C(O)CCN2CCCCC2
(2)InChI: InChI=1S/C14H20N2O3/c17-14(8-11-15-9-2-1-3-10-15)12-4-6-13(7-5-12)16(18)19/h4-7,14,17H,1-3,8-11H2
(3)InChIKey: SWBBBDRCBQQWAO-UHFFFAOYSA-N