Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-1-[2-(Trifluoromethyl)phenyl]ethylamine |
EINECS | N/A |
CAS No. | 127733-39-5 | Density | 1.181 g/cm3 |
PSA | 26.02000 | LogP | 3.42540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10F3N | Boiling Point | 196.326 °C at 760 mmHg |
Molecular Weight | 189.18 | Flash Point | 78.827 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes |
Xi:Irritant; |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzenemethanamine,a-methyl-2-(trifluoromethyl)-,(S)-;(S)-(-)-1-(2-Trifluoromethylphenyl)ethylamine;[(S)-1-[2-(Trifluoromethyl)phenyl]ethyl]amine; |
Article Data | 6 |
The (S)-1-[2-(Trifluoromethyl)phenyl]ethylamine, with CAS registry number 127733-39-5, has the systematic name of (1S)-1-[2-(trifluoromethyl)phenyl]ethanamine. Besides this, it is also called benzenemethanamine, α-methyl-2-(trifluoromethyl)-, (alphaS)-. And the chemical formula of this chemical is C9H10F3N.
Physical properties of (S)-1-[2-(Trifluoromethyl)phenyl]ethylamine: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.91; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 44.32 cm3; (15)Molar Volume: 160.1 cm3; (16)Polarizability: 17.56× 10-24cm3; (17)Surface Tension: 28 dyne/cm; (18)Enthalpy of Vaporization: 43.25 kJ/mol; (19)Vapour Pressure: 0.401 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1[C@@H](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/t6-/m0/s1
(3)InChIKey: DPLIMKBGTYIUCB-LURJTMIEBG
(4)Std. InChI: InChI=1S/C9H10F3N/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1
(5)Std. InChIKey: DPLIMKBGTYIUCB-LURJTMIESA-N