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CAS No.: | 572923-22-9 |
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Name: | (S)-2-(4-TRIFLUOROMETHYLPHENYLAMINO)PROPAN-1-OL |
Molecular Structure: | |
Formula: | C10H12F3NO |
Molecular Weight: | 219.20 |
Synonyms: | (2S)-2-{[4-(Trifluoromethyl)phenyl]amino}propan-1-ol; |
Density: | 1.264 g/cm3 |
Boiling Point: | 295.1 °C at 760 mmHg |
Flash Point: | 132.3 °C |
PSA: | 32.26000 |
LogP: | 2.57110 |
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The CAS registry number of 1-Propanol,2-[[4-(trifluoromethyl)phenyl]amino]-, (2S)- is 572923-22-9. The IUPAC name is (2S)-2-[4-(trifluoromethyl)anilino]propan-1-ol. In addition, the molecular formula is C10H12F3NO and the molecular weight is 219.20. What's more, it belongs to the class of Pharmacetical and should be stored in a cool and dry place.
Physical properties about 1-Propanol,2-[[4-(trifluoromethyl)phenyl]amino]-, (2S)- are: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 2.18; (3)ACD/LogD (pH 7.4): 2.18; (4)ACD/BCF (pH 5.5): 26.57; (5)ACD/BCF (pH 7.4): 26.67; (6)ACD/KOC (pH 5.5): 363.63; (7)ACD/KOC (pH 7.4): 365.09; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.507; (13)Molar Refractivity: 51.6 cm3; (14)Molar Volume: 173.2 cm3; (15)Polarizability: 20.45 ×10-24cm3; (16)Surface Tension: 33.5 dyne/cm; (17)Density: 1.264 g/cm3; (18)Flash Point: 132.3 °C; (19)Enthalpy of Vaporization: 56.47 kJ/mol; (20)Boiling Point: 295.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000707 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(N[C@H](CO)C)cc1
(2)InChI: InChI=1/C10H12F3NO/c1-7(6-15)14-9-4-2-8(3-5-9)10(11,12)13/h2-5,7,14-15H,6H2,1H3/t7-/m0/s1
(3)InChIKey: SWXCVJNYASROGT-ZETCQYMHBZ