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CAS No.: | 325491-81-4 |
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Name: | 4-(2-METHYLTHIAZOL-4-YL)BUTAN-1-AMINE |
Molecular Structure: | |
Formula: | C8H14N2S |
Molecular Weight: | 170.28 |
Synonyms: | 4-(2-Methylthiazol-4-yl)butylamine;4-(2-Methylthiazol-4-yl)butan-1-amine; |
Density: | 1.078 g/cm3 |
Boiling Point: | 282.808 °C at 760 mmHg |
Flash Point: | 124.838 °C |
PSA: | 67.15000 |
LogP: | 2.43320 |
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The CAS register number of 4-Thiazolebutanamine,2-methyl- is 325491-81-4. It also can be called as 4-(2-Methylthiazol-4-yl)butylamine and the systematic name about this chemical is 4-(2-methylthiazol-4-yl)butan-1-amine. The molecular formula about this chemical is C8H14N2S and the molecular weight is 170.28.
Physical properties about 4-Thiazolebutanamine,2-methyl- are: (1)ACD/LogP: 0.12; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 67.15 Å2; (10)Index of Refraction: 1.545; (11)Molar Refractivity: 49.904 cm3; (12)Molar Volume: 157.92 cm3; (13)Polarizability: 19.783x10-24cm3; (14)Surface Tension: 44.304 dyne/cm; (15)Density: 1.078 g/cm3; (16)Flash Point: 124.838 °C; (17)Enthalpy of Vaporization: 52.169 kJ/mol; (18)Boiling Point: 282.808 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(cs1)CCCCN
(2)InChI: InChI=1/C8H14N2S/c1-7-10-8(6-11-7)4-2-3-5-9/h6H,2-5,9H2,1H3
(3)InChIKey: DJAOEJJYVANTJW-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H14N2S/c1-7-10-8(6-11-7)4-2-3-5-9/h6H,2-5,9H2,1H3
(5)Std. InChIKey: DJAOEJJYVANTJW-UHFFFAOYSA-N