2-(TERT-BUTYLTHIO)ETHYLAMINE HYDROCHLORIDE

The Ethanamine,2-[(1,1-dimethylethyl)thio]-, hydrochloride (1:1), with the CAS registry number 60116-77-0, is also known as 2-(tert-Butylthio)ethylammonium chloride. Its EINECS number is 262-065-3. This chemical's molecular formula is C₆H₁₆ClNS and molecular weight is 169.72. What's more, its IUPAC name is 2-Tert-butylsulfanylethanamine hydrochloride.

Physical properties of Ethanamine,2-[(1,1-dimethylethyl)thio]-, hydrochloride (1:1) are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -0.28; (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): 2.77; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 28.54 Å²; (13)Flash Point: 66 °C; (14)Enthalpy of Vaporization: 42.17 kJ/mol; (15)Boiling Point: 185.5 °C at 760 mmHg; (16)Vapour Pressure: 0.696 mmHg at 25°C.

Uses of Ethanamine,2-[(1,1-dimethylethyl)thio]-, hydrochloride (1:1): it can be used to produce {2,6-bis-[(2-tert-butylsulfanyl-ethylamino)-methyl]-pyridin-4-yl}-dimethyl-amine at the ambient temperature. It will need reagent sodium cyanoborohydride and solvent methanol with the reaction time of 36 hours. The yield is about 49%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.S(C(C)(C)C)CCN
(2)Std. InChI: InChI=1S/C6H15NS.ClH/c1-6(2,3)8-5-4-7;/h4-5,7H2,1-3H3;1H
(3)Std. InChIKey: YJAKJFWAOKKUJK-UHFFFAOYSA-N