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CAS No.: | 37577-22-3 |
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Name: | (R)-1-(3-TRIFLUOROMETHYLPHENYL)-2-AMINOPROPANE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H12F3N |
Molecular Weight: | 203.207 |
Synonyms: | Benzeneethanamine,a-methyl-3-(trifluoromethyl)-,(R)-;(-)-Norfenfluramine;l-Norfenfluramine;(R)-1-(3-(trifluoromethyl)phenyl)propan-2-amine; |
Density: | 1.152 g/cm3 |
Boiling Point: | 215.2 °C at 760 mmHg |
Flash Point: | 88.9 °C |
PSA: | 26.02000 |
LogP: | 3.29540 |
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The Benzeneethanamine, a-methyl-3-(trifluoromethyl)-, (αR)-, with the CAS registry number 37577-22-3, is also known as (R)-1-(3-(trifluoromethyl)phenyl)propan-2-amine. This chemical's molecular formula is C10H12F3N and molecular weight is 203.2. What's more, its systematic name is (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
Physical properties of Benzeneethanamine, a-methyl-3-(trifluoromethyl)-, (αR)- are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.36; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.466; (13)Molar Refractivity: 48.9 cm3; (14)Molar Volume: 176.3 cm3; (15)Polarizability: 19.38×10-24 cm3; (16)Surface Tension: 28.4 dyne/cm; (17)Density: 1.152 g/cm3; (18)Flash Point: 88.9 °C; (19)Enthalpy of Vaporization: 45.15 kJ/mol; (20)Boiling Point: 215.2 °C at 760 mmHg; (21)Vapour Pressure: 0.15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(F)c1cccc(C[C@@H](C)N)c1
(2)InChI: InChI=1/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m1/s1
(3)InChIKey: MLBHFBKZUPLWBD-SSDOTTSWBB