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CAS No.: | 467461-10-5 |
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Name: | {2-[3-(Trifluoromethoxy)phenyl]ethyl}amine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H10F3NO |
Molecular Weight: | 205.18 |
Synonyms: | 2-(3-Trifluoromethoxyphenyl)ethylamine;3-Trifluoromethoxyphenethylamine; |
Density: | 1.234 g/cm3 |
Boiling Point: | 210.635 °C at 760 mmHg |
Flash Point: | 81.189 °C |
PSA: | 35.25000 |
LogP: | 2.78670 |
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This chemical is called 2-[3-(Trifluoromethoxy)phenyl]ethanamine, and it can also be named as Benzeneethanamine, 3-(trifluoromethoxy)-. With the molecular formula of C9H10F3NO, its molecular weight is 205.18. The CAS registry number of this chemical is 467461-10-5.
Other characteristics of the 2-[3-(Trifluoromethoxy)phenyl]ethanamine can be summarised as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.25 Å2; (12)Index of Refraction: 1.471; (13)Molar Refractivity: 46.473 cm3; (14)Molar Volume: 166.322 cm3; (15)Polarizability: 18.423×10-24cm3; (16)Surface Tension: 31.233 dyne/cm; (17)Density: 1.234 g/cm3; (18)Flash Point: 81.189 °C; (19)Enthalpy of Vaporization: 44.692 kJ/mol; (20)Boiling Point: 210.635 °C at 760 mmHg; (21)Vapour Pressure: 0.19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)Oc1cc(ccc1)CCN
2.InChI: InChI=1/C9H10F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4-5,13H2
3.InChIKey: XOPVABPXMZJUBF-UHFFFAOYAN