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CAS No.: | 644950-38-9 |
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Name: | 2-Thiazolemethanamine,N-methyl-4-(1-methylethyl)-(9CI) |
Molecular Structure: | |
Formula: | C8H14N2S |
Molecular Weight: | 170.28 |
Synonyms: | 2-Thiazolemethanamine,N-methyl-4-(1-methylethyl)-(9CI) |
Density: | 1.039 g/cm3 |
Boiling Point: | 230.874 °C at 760 mmHg |
Flash Point: | 93.429 °C |
Solubility: | at 25 deg C (mg/L): 201.9 |
PSA: | 53.16000 |
LogP: | 2.37680 |
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The 2-Thiazolemethanamine,N-methyl-4-(1-methylethyl)- is an organic compound with the formula C8H14N2S. The systematic name of this chemical is N-Methyl-1-[2-(1-methylethyl)-1,3-thiazol-4-yl]methanamine. With the CAS registry number 644950-38-9, it is also named as 1-(2-Isopropyl-1,3-thiazol-4-yl)-N-methylmethanamine. The category of the product is Isopropyl. Besides, its molecular weight is 170.279.
The physical properties of 2-Thiazolemethanamine,N-methyl-4-(1-methylethyl)- are: (1)ACD/LogP: 0.51; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 37; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.16 Å2; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 50.058 cm3; (14)Molar Volume: 163.842 cm3; (15)Polarizability: 19.844×10-24 cm3; (16)Surface Tension: 37.033 dyne/cm; (17)Density: 1.039 g/cm3; (18)Flash Point: 93.429 °C; (19)Enthalpy of Vaporization: 46.752 kJ/mol; (20)Boiling Point: 230.874 °C at 760 mmHg; (21)Vapour Pressure: 0.064 mmHg at 25 °C.
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
(4)Std. InChI: InChI=1S/C8H14N2S/c1-6(2)8-10-7(4-9-3)5-11-8/h5-6,9H,4H2,1-3H3
(5)Std. InChIKey: HWSFABGWAXURNG-UHFFFAOYSA-N