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CAS No.: | 23328-91-8 |
---|---|
Name: | Ethanone, 1-(4-methyl-1H-imidazol-5-yl)- |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H8N2O |
Molecular Weight: | 124.142 |
Synonyms: | Ethanone, 1-(2-methyl-1H-imidazol-4-yl)-; |
Boiling Point: | 343.474 °C at 760 mmHg |
Flash Point: | 165.684 °C |
PSA: | 45.75000 |
LogP: | 0.92070 |
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The Ethanone,1-(4-methyl-1H-imidazol-5-yl)-, with the CAS registry number of 23328-91-8, is also known as Ethanone, 1-(2-methyl-1H-imidazol-4-yl)-. This chemical's molecular formula is C6H8N2O. What's more, its systematic name is 1-(2-Methyl-1H-imidazol-4-yl)ethanone.
Physical properties about the Ethanone,1-(4-methyl-1H-imidazol-5-yl)- are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7; (7)ACD/KOC (pH 7.4): 7; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 45.75 Å2; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 33.63 cm3; (14)Molar Volume: 108.785 cm3; (15)Surface Tension: 46.355 dyne/cm; (16)Density: 1.141 g/cm3; (17)Flash Point: 165.684 °C; (18)Enthalpy of Vaporization: 58.734 kJ/mol; (19)Boiling Point: 343.474 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c1cnc(C)n1
(2) InChI: InChI=1/C6H8N2O/c1-4(9)6-3-7-5(2)8-6/h3H,1-2H3,(H,7,8)
(3) InChIKey: MZJZNADJWQEIIG-UHFFFAOYAT