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Basic Information
CAS No.: 128404-37-5
Name: (S)-2,2,2-TRIFLUORO-1-PHENYLETHYLAMINE HCL
Molecular Structure:
Molecular Structure of 128404-37-5 ((S)-2,2,2-TRIFLUORO-1-PHENYLETHYLAMINE HCL)
Formula: C8H8F3N.HCl
Molecular Weight: 211.614
Synonyms: Benzenemethanamine,a-(trifluoromethyl)-,hydrochloride, (S)-;Benzenemethanamine, a-(trifluoromethyl)-, hydrochloride, (aS)- (9CI);((S)-1-Amino-2,2,2-trifluoroethyl)benzene hydrochloride;
Boiling Point: 237.7 °C at 760 mmHg
Flash Point: 97.6 °C
PSA: 26.02000
LogP: 3.75100
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Specification

The CAS register number of (S)-2,2,2-Trifluoro-1-phenylethylamine hydrochloride is 128404-37-5. It also can be called as Benzenemethanamine, a-(trifluoromethyl)-,hydrochloride (1:1), (aS)- and the IUPAC name about this chemical is (1S)-2,2,2-trifluoro-1-phenylethanamine hydrochloride. It belongs to the pharmacetical.

Physical properties about (S)-2,2,2-Trifluoro-1-phenylethylamine hydrochloride are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.35; (3)ACD/LogD (pH 7.4): 1.94; (4)#H bond acceptors: 1; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 26.02Å2; (8)Flash Point: 97.6 °C; (9)Enthalpy of Vaporization: 48.42 kJ/mol; (10)Boiling Point: 237.7 °C at 760 mmHg; (11)Vapour Pressure: 0.0356 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N[C@@H](c1ccccc1)C(F)(F)F
(2)InChI: InChI=1/C8H8F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7H,12H2;1H/t7-;/m0./s1
(3)InChIKey: LCQGOISHUDYBOS-FJXQXJEOBH
(4)Std. InChI: InChI=1S/C8H8F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7H,12H2;1H/t7-;/m0./s1
(5)Std. InChIKey: LCQGOISHUDYBOS-FJXQXJEOSA-N