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127733-46-4

Basic Information
CAS No.: 127733-46-4
Name: (R)-1-[2-(Trifluoromethyl)phenyl]ethylamine
Article Data: 2
Molecular Structure:
Molecular Structure of 127733-46-4 ((R)-1-[2-(Trifluoromethyl)phenyl]ethylamine)
Formula: C9H10F3N
Molecular Weight: 189.18
Synonyms: Benzenemethanamine,a-methyl-2-(trifluoromethyl)-,(R)-;
Density: 1.18 g/cm3
Boiling Point: 196.3 °C at 760 mmHg
Flash Point: 78.8 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 26.02000
LogP: 3.42540
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Specification

The (R)-1-[2-(Trifluoromethyl)phenyl]ethylamine is an organic compound with the formula C9H10F3N. The IUPAC name of this chemical is (1R)-1-[2-(trifluoromethyl)phenyl]ethanamine. With the CAS registry number 127733-46-4, it is also named as Benzenemethanamine, α-methyl-2-(trifluoromethyl)-.

Physical properties about (R)-1-[2-(Trifluoromethyl)phenyl]ethylamine are: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): -1.01; (3)ACD/LogD (pH 7.4): 0.13; (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): 3.91; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24Å2; (12)Index of Refraction: 1.465; (13)Molar Refractivity: 44.32 cm3; (14)Molar Volume: 160.1 cm3; (15)Polarizability: 17.56×10-24cm3; (16)Surface Tension: 28 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 78.8 °C; (19)Enthalpy of Vaporization: 43.25 kJ/mol; (20)Boiling Point: 196.3 °C at 760 mmHg; (21)Vapour Pressure: 0.401 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1C(N)C
(2)InChI: InChI=1/C9H10F3N/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6H,13H2,1H3
(3)InChIKey: DPLIMKBGTYIUCB-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H10F3N/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6H,13H2,1H3
(5)Std. InChIKey: DPLIMKBGTYIUCB-UHFFFAOYSA-N