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CAS No.: | 37511-62-9 |
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Name: | 3-Phenyl-8-azabicyclo[3.2.1]octan-3-ol |
Molecular Structure: | |
Formula: | C13H17NO |
Molecular Weight: | 203.284 |
Density: | 1.138 g/cm3 |
Boiling Point: | 353.015 °C at 760 mmHg |
Flash Point: | 143.766 °C |
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This chemical's CAS registry number is 37511-62-9. Its molecular formula is C13H17NO and molecular weight is 203.2802. What's more, both the product name and systematic name are the same which is called 3-Phenyl-8-azabicyclo[3.2.1]octan-3-ol.
Physical properties about 3-Phenyl-8-azabicyclo[3.2.1]octan-3-ol are: (1)ACD/LogP: 1.73; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 32.26 Å2; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 59.623 cm3; (13)Molar Volume: 178.586 cm3; (14)Polarizability: 23.636×10-24 cm3; (15)Surface Tension: 46.489 dyne/cm; (16)Density: 1.138 g/cm3; (17)Flash Point: 143.766 °C; (18)Enthalpy of Vaporization: 63.093 kJ/mol; (19)Boiling Point: 353.015 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC1(CC2CCC(C1)N2)c3ccccc3
(2) InChI: InChI=1/C13H17NO/c15-13(10-4-2-1-3-5-10)8-11-6-7-12(9-13)14-11/h1-5,11-12,14-15H,6-9H2
(3) InChIKey: ROZUZZWOTMMUTR-UHFFFAOYAG