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Ethanamine,2-[(1,1-dimethylethyl)thio]-, hydrochloride (1:1)

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Ethanamine,2-[(1,1-dimethylethyl)thio]-, hydrochloride (1:1)

EINECS 262-065-3
CAS No. 60116-77-0 Density N/A
PSA 51.32000 LogP 2.97910
Solubility Soluble in water Melting Point 195-197 °C
Formula C6H16ClNS Boiling Point 185.5 °C at 760 mmHg
Molecular Weight 169.719 Flash Point 66 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 60116-77-0 (2-(TERT-BUTYLTHIO)ETHYLAMINE HYDROCHLORIDE) Hazard Symbols N/A
Synonyms

2-(tert-Butylsulfanyl)ethanaminium chloride;2-(tert-Butylthio)ethylamine hydrochloride;2-(tert-Butylthio)ethylammonium chloride;

Article Data 2

Ethanamine,2-[(1,1-dimethylethyl)thio]-, hydrochloride (1:1) Specification

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%.

Ethanamine,2-[(1,1-dimethylethyl)thio]-, hydrochloride (1:1) can be used to produce {2,6-bis-[(2-tert-butylsulfanyl-ethylamino)-methyl]-pyridin-4-yl}-dimethyl-amine at the ambient temperature

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

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