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CAS No.: | 142161-53-3 |
---|---|
Name: | 1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C12H12N2O |
Molecular Weight: | 200.24 |
Synonyms: | 1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone; |
Density: | 1.114 g/cm3 |
Boiling Point: | 375.253 °C at 760 mmHg |
Flash Point: | 180.747 °C |
PSA: | 34.89000 |
LogP: | 2.38330 |
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The CAS register number of 1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone is 142161-53-3. It also can be called as Ethanone,1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]- and the systematic name about this chemical is 1-[4-(4-methylimidazol-1-yl)phenyl]ethanone. The molecular formula about this chemical is C12H12N2O and the molecular weight is 200.24.
Physical properties about 1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): 1.453; (3)ACD/LogD (pH 7.4): 1.744; (4)ACD/BCF (pH 5.5): 6.357; (5)ACD/BCF (pH 7.4): 12.413; (6)ACD/KOC (pH 5.5): 107.768; (7)ACD/KOC (pH 7.4): 210.433; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 34.89Å2; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 60.24 cm3; (13)Molar Volume: 179.789 cm3; (14)Polarizability: 23.881x10-24cm3; (15)Surface Tension: 40.157 dyne/cm; (16)Enthalpy of Vaporization: 62.275 kJ/mol; (17)Boiling Point: 375.253 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cn(cn1)c2ccc(cc2)C(=O)C
(2)InChI: InChI=1/C12H12N2O/c1-9-7-14(8-13-9)12-5-3-11(4-6-12)10(2)15/h3-8H,1-2H3
(3)InChIKey: XVSAOSPGDUFLCH-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H12N2O/c1-9-7-14(8-13-9)12-5-3-11(4-6-12)10(2)15/h3-8H,1-2H3
(5)Std. InChIKey: XVSAOSPGDUFLCH-UHFFFAOYSA-N