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2-[4-[4-(3-Pyridinyl)-1H-imidazol-1-yl]butyl]-1H-isoindole-1,3(2H)-dione Specification

The CAS register number of 2-[4-[4-(3-Pyridinyl)-1H-imidazol-1-yl]butyl]-1H-isoindole-1,3(2H)-dione is 173838-67-0. It also can be called as 1H-Isoindole-1,3(2H)-dione,2-[4-[4-(3-pyridinyl)-1H-imidazol-1-yl]butyl]- and the systematic name about this chemical is 1H-isoindole-1,3(2H)-dione, 2-[4-[4-(3-pyridinyl)-1H-imidazol-1-yl]butyl]-. The molecular formula about this chemical is C20H18N4O2 and the molecular weight is 346.38.

Physical properties about 2-[4-[4-(3-Pyridinyl)-1H-imidazol-1-yl]butyl]-1H-isoindole-1,3(2H)-dione are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.35; (3)ACD/LogD (pH 7.4): 2.4; (4)ACD/BCF (pH 5.5): 35.25; (5)ACD/BCF (pH 7.4): 39.06; (6)ACD/KOC (pH 5.5): 432.77; (7)ACD/KOC (pH 7.4): 479.55; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 68.09Å2; (11)Index of Refraction: 1.677; (12)Molar Refractivity: 100.24 cm3; (13)Molar Volume: 265.9 cm3; (14)Polarizability: 39.74x10-24cm3; (15)Surface Tension: 55.6 dyne/cm; (16)Enthalpy of Vaporization: 90.2 kJ/mol; (17)Boiling Point: 606.9 °C at 760 mmHg; (18)Vapour Pressure: 1.12E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C(=O)N(C2=O)CCCCn3cc(nc3)c4cccnc4
(2)InChI: InChI=1/C20H18N4O2/c25-19-16-7-1-2-8-17(16)20(26)24(19)11-4-3-10-23-13-18(22-14-23)15-6-5-9-21-12-15/h1-2,5-9,12-14H,3-4,10-11H2
(3)InChIKey: MOYLFIZRERPAKM-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C20H18N4O2/c25-19-16-7-1-2-8-17(16)20(26)24(19)11-4-3-10-23-13-18(22-14-23)15-6-5-9-21-12-15/h1-2,5-9,12-14H,3-4,10-11H2
(5)Std. InChIKey: MOYLFIZRERPAKM-UHFFFAOYSA-N

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