(S)-1-[3,5-Bis(trifluoromethyl)phenyl)ethylamine supplier

Name
(R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE HCL
EINECS
CAS No. 127733-40-8
Article Data11
CAS DataBase
Density 1.328 g/cm³
Solubility
Melting Point
Formula C₁₀H₉F₆N
Boiling Point 168.856 °C at 760 mmHg
Molecular Weight 257.179
Flash Point 66.334 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms Benzenemethanamine,a-methyl-3,5-bis(trifluoromethyl)-,(S)-;(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine;(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanamine;benzenemethanamine, α-methyl-3,5-bis(trifluoromethyl)-, (αS)-;
PSA 26.02000
LogP 4.44420

(S)-1-[3,5-Bis(trifluoromethyl)phenyl)ethylamine Specification

The (S)-1-[3,5-Bis(trifluoromethyl)phenyl)ethylamine, with the CAS registry number 127733-40-8, has the systematic name of (1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanamine. It is a kind of irritant chemical. And the molecular formula of this chemical is C₁₀H₉F₆N.

The physical properties of (S)-1-[3,5-Bis(trifluoromethyl)phenyl)ethylamine are as following: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.12; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.84; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 17.96; (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: 1.422; (14)Molar Refractivity: 49.3 cm³; (15)Molar Volume: 193.6 cm³; (16)Polarizability: 19.54×10^-24cm³; (17)Surface Tension: 23.3 dyne/cm; (18)Density: 1.327 g/cm³; (19)Flash Point: 66.3 °C; (20)Enthalpy of Vaporization: 40.53 kJ/mol; (21)Boiling Point: 168.9 °C at 760 mmHg; (22)Vapour Pressure: 1.59 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)[C@@H](N)C
(2)InChI: InChI=1/C10H9F6N/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5H,17H2,1H3/t5-/m0/s1
(3)InChIKey: PFVWEAYXWZFSSK-YFKPBYRVBB

Product Name

(R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE HCL

(S)-1-[3,5-Bis(trifluoromethyl)phenyl)ethylamine Specification

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