| Identification | |
| Name: | Benzenemethanamine, a-methyl-3-(trifluoromethyl)-, (aS)- |
| Synonyms: | Benzenemethanamine,a-methyl-3-(trifluoromethyl)-,(S)-;(S)-(-)-1-(3-Trifluoromethylphenyl)ethylamine;(S)-1-(3-Trifluoromethylphenyl)ethylamine; |
| CAS: | 127852-21-5 |
| Molecular Formula: | C9H10F3N |
| Molecular Weight: | 189.18 |
| 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 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.18 g/cm3 |
| Refractive index: | 1.465 |
| 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: |
| Safety Data | |
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