(S)-1-[2-(Trifluoromethyl)phenyl]ethylamine supplier

Name
(S)-1-[2-(Trifluoromethyl)phenyl]ethylamine
EINECS
CAS No. 127733-39-5
Article Data6
CAS DataBase
Density 1.181 g/cm³
Solubility
Melting Point
Formula C₉H₁₀F₃N
Boiling Point 196.326 °C at 760 mmHg
Molecular Weight 189.18
Flash Point 78.827 °C
Transport Information
Appearance
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;
PSA 26.02000
LogP 3.42540

(S)-1-[2-(Trifluoromethyl)phenyl]ethylamine Specification

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

Product Name

(S)-1-[2-(Trifluoromethyl)phenyl]ethylamine

(S)-1-[2-(Trifluoromethyl)phenyl]ethylamine Specification

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