The 2-Isopropyl-4-(methylaminomethyl)thiazol, with the CAS registry number 154212-60-9 and EINECS registry number 414-800-6, has the systematic name of N-methyl-1-[2-(1-methylethyl)-1,3-thiazol-4-yl]methanamine. And the molecular formula of this chemical is C8H14N2S.
The physical properties of 2-Isopropyl-4-(methylaminomethyl)thiazol are as followings: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 37; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.16 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 50.058 cm3; (15)Molar Volume: 163.842 cm3; (16)Polarizability: 19.844×10-24cm3; (17)Surface Tension: 37.033 dyne/cm; (18)Density: 1.039 g/cm3; (19)Flash Point: 93.429 °C; (20)Enthalpy of Vaporization: 46.752 kJ/mol; (21)Boiling Point: 230.874 °C at 760 mmHg; (22)Vapour Pressure: 0.064 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful by inhalation and in contact with skin, and it also irritates the skin. It is toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. What's more, it may cause serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Avoid release to the environment. Refer to special instructions safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1nc(CNC)cs1
(2)InChI: InChI=1/C8H14N2S/c1-6(2)8-10-7(4-9-3)5-11-8/h5-6,9H,4H2,1-3H3
(3)InChIKey: HWSFABGWAXURNG-UHFFFAOYAH
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