(S)-1-[4-(Trifluoromethyl)phenyl]ethylamine supplier

Name
(S)-1-[4-(Trifluoromethyl)phenyl]ethylamine
EINECS
CAS No. 84499-73-0
Article Data7
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₉H₁₀F₃N
Boiling Point 203.9 °C at 760 mmHg
Molecular Weight 189.18
Flash Point 82.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenemethanamine,a-methyl-4-(trifluoromethyl)-,(S)-;[(S)-1-[4-(Trifluoromethyl)phenyl]ethyl]amine;(1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine;
PSA 26.02000
LogP 3.42540

(S)-1-[4-(Trifluoromethyl)phenyl]ethylamine Specification

The IUPAC name of this chemical is (1S)-1-[4-(trifluoromethyl)phenyl]ethanamine. With the CAS registry number 84499-73-0, it is also named as benzenemethanamine, α-methyl-4-(trifluoromethyl)-, (alphaS)-. The formula is C₉H₁₀F₃N and the molecular weight is 189.18.

The other characteristics of (S)-1-[4-(Trifluoromethyl)phenyl]ethylamine can be summarized as: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.99; (4)ACD/LogD (pH 7.4): 0.24; (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): 5.05; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.465; (13)Molar Refractivity: 44.32 cm³; (14)Molar Volume: 160.1 cm³; (15)Polarizability: 17.56×10^-24 cm³; (16)Surface Tension: 28 dyne/cm; (17)Enthalpy of Vaporization: 44.01 kJ/mol; (18)Vapour Pressure: 0.271 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 189.076534; (21)MonoIsotopic Mass: 189.076534; (22)Topological Polar Surface Area: 26; (23)Heavy Atom Count: 13; (24)Complexity: 159; (25)Defined Atom StereoCenter Count: 1.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)c1ccc(cc1)[C@@H](N)C
2. InChI:InChI=1/C9H10F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1
3. InChIKey:GUMZDWPMXGQNBG-LURJTMIEBY
4. Std. InChI:InChI=1S/C9H10F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1
5. Std. InChIKey:GUMZDWPMXGQNBG-LURJTMIESA-N

Product Name

(S)-1-[4-(Trifluoromethyl)phenyl]ethylamine

(S)-1-[4-(Trifluoromethyl)phenyl]ethylamine Specification

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