3,3,3-TRIFLUOROPROPYLAMINE HYDROCHLORIDE

The 3,3,3-Trifluoropropan-1-amine hydrochloride is an organic compound with the formula C₃H₆F₃N^.HCl. The systematic name of this chemical is 3,3,3-trifluoropropan-1-aminium chloride. With the CAS registry number 2968-33-4, it is also named as Trifluoropropylamine hydrochloride.

Physical properties about 3,3,3-Trifluoropropan-1-amine hydrochloride are: (1)ACD/LogP: 0.52; (2)ACD/LogD (pH 5.5): -2.03; (3)ACD/LogD (pH 7.4): -0.33; (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): 6.49; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 8.7 °C; (12)Enthalpy of Vaporization: 27.62 kJ/mol; (13)Boiling Point: 30.6 °C at 760 mmHg; (14)Vapour Pressure: 616 mmHg at 25°C.

Preparation: this chemical can be prepared by N-(3,3,3-trifluoro-propyl)-phthalimide. This reaction will need reagent NaBH₄, AcOH and solvent propan-2-ol, H₂O. The yield is about 80%.

Uses of 3,3,3-Trifluoropropan-1-amine hydrochloride: it can be used to produce 3-fluoromethyl-1-oxo-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid (3,3,3-trifluoro-propyl)-amide. It will need reagent aq. Na₂CO₃, pyridine and solvent ethyl acetate with reaction time of 4 hours. The yield is about 39%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed.  When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].FC(F)(F)CC[NH3+]
(2)InChI: InChI=1/C3H6F3N.ClH/c4-3(5,6)1-2-7;/h1-2,7H2;1H
(3)InChIKey: IGOPOYHPIKTQSS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C3H6F3N.ClH/c4-3(5,6)1-2-7;/h1-2,7H2;1H
(5)Std. InChIKey: IGOPOYHPIKTQSS-UHFFFAOYSA-N