(S)-1-[3-(Trifluoromethyl)phenyl]ethylamine supplier

Name
(S)-1-[3-(Trifluoromethyl)phenyl]ethylamine
EINECS
CAS No. 127852-21-5
Article Data4
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₉H₁₀F₃N
Boiling Point 184.1 °C at 760 mmHg
Molecular Weight 189.18
Flash Point 72.2 °C
Transport Information
Appearance
Safety 26
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenemethanamine,a-methyl-3-(trifluoromethyl)-,(S)-;(S)-(-)-1-(3-Trifluoromethylphenyl)ethylamine;(S)-1-(3-Trifluoromethylphenyl)ethylamine;
PSA 26.02000
LogP 3.42540

(S)-1-[3-(Trifluoromethyl)phenyl]ethylamine Specification

The (S)-1-[3-(Trifluoromethyl)phenyl]ethylamine with the CAS number 127852-21-5 is also called Benzenemethanamine, a-methyl-3-(trifluoromethyl)-, (aS)-. Both the systematic name and IUPAC name are (1S)-1-[3-(trifluoromethyl)phenyl]ethanamine. Its molecular formula is C₉H₁₀F₃N. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.03; (4)ACD/LogD (pH 7.4): 0.02; (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): 3.03; (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: 42.03 kJ/mol; (19)Vapour Pressure: 0.746 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)[C@@H](N)C
(2)InChI: InChI=1/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1
(3)InChIKey: ODZXRBRYQGYVJY-LURJTMIEBG

Product Name

(S)-1-[3-(Trifluoromethyl)phenyl]ethylamine

(S)-1-[3-(Trifluoromethyl)phenyl]ethylamine Specification

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