Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-1-[3,5-Bis(trifluoromethyl)phenyl)ethylamine |
EINECS | N/A |
CAS No. | 127733-40-8 | 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 | 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)-; |
Article Data | 11 |
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