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CAS No.: | 137218-26-9 |
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Name: | (2-[2-(trifluoromethoxy)phenyl]ethyl)amine |
Molecular Structure: | |
Formula: | C9H10F3NO |
Molecular Weight: | 205.18 |
Synonyms: | 2-(2-Trifluoromethoxyphenyl)ethanamine;[2-[2-(Trifluoromethoxy)phenyl]ethyl]amine;2-Trifluoromethoxyphenethylamine; |
Density: | 1.233 g/cm3 |
Boiling Point: | 200 °C at 760 mmHg |
Flash Point: | 74.7 °C |
PSA: | 35.25000 |
LogP: | 2.78670 |
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The Benzeneethanamine,2-(trifluoromethoxy)- is an organic compound with the formula C9H10F3NO. The systematic name of this chemical is 2-[2-(trifluoromethoxy)phenyl]ethanamine. With the CAS registry number 137218-26-9, it is also named as 2-(Trifluoromethoxy)benzeneethanamine.
Physical properties about Benzeneethanamine,2-(trifluoromethoxy)- are: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): -0.66; (3)ACD/LogD (pH 7.4): 0.19; (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): 2.91; (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: 1.47; (13)Molar Refractivity: 46.47 cm3; (14)Molar Volume: 166.3 cm3; (15)Polarizability: 18.42×10-24cm3; (16)Surface Tension: 31.2 dyne/cm; (17)Density: 1.233 g/cm3; (18)Flash Point: 74.7 °C; (19)Enthalpy of Vaporization: 43.62 kJ/mol; (20)Boiling Point: 200 °C at 760 mmHg; (21)Vapour Pressure: 0.332 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccccc1CCN
(2)InChI: InChI=1/C9H10F3NO/c10-9(11,12)14-8-4-2-1-3-7(8)5-6-13/h1-4H,5-6,13H2
(3)InChIKey: NKTMGDGRBSAMTC-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H10F3NO/c10-9(11,12)14-8-4-2-1-3-7(8)5-6-13/h1-4H,5-6,13H2
(5)Std. InChIKey: NKTMGDGRBSAMTC-UHFFFAOYSA-N