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

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Name

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

EINECS N/A
CAS No. 127733-47-5 Density 1.328 g/cm3
PSA 26.02000 LogP 4.44420
Solubility N/A Melting Point N/A
Formula C10H9F6N Boiling Point 168.856 °C at 760 mmHg
Molecular Weight 257.179 Flash Point 66.334 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 127733-47-5 ((R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE) Hazard Symbols IrritantXi
Synonyms

Benzenemethanamine,a-methyl-3,5-bis(trifluoromethyl)-,(R)-;

Article Data 5

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

This chemical is called (R)-1-[3,5-Bis(trifluoromethyl)phenyl)ethylamine, and it can also be named as benzenemethanamine, α-methyl-3,5-bis(trifluoromethyl)-, (alphaR)-. With the molecular formula of C10H9F6N, its molecular weight is 257.18. The CAS registry number of this chemical is 127733-47-5, and its product category is API Intermediates.

Other characteristics of the (R)-1-[3,5-Bis(trifluoromethyl)phenyl)ethylamine can be summarised as followings: (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-/m1/s1
3.InChIKey: PFVWEAYXWZFSSK-RXMQYKEDBT

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