CAS No.116795-55-2,1-(1-Trityl-1H-imidazol-4-yl)-ethanone Suppliers

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Molecular Structure:
CAS No.:	116795-55-2
Name:	1-(1-Trityl-1H-imidazol-4-yl)-ethanone
Article Data:	9

Formula:	C₂₄H₂₀N₂O
Molecular Weight:	352.436
Synonyms:	LogP
Density:	1.09 g/cm³
Boiling Point:	507.2 °C at 760 mmHg
Flash Point:	260.6 °C
PSA:	34.89000
LogP:	4.92590

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Specification

The 1-(1-Trityl-1H-imidazol-4-yl)-ethanone, with the CAS registry number 116795-55-2. This chemical's molecular formula is C₂₄H₂₀N₂O and molecular weight is 352.43. What's more, its systematic name is 1-(1-trityl-1H-imidazol-4-yl)ethanone.

Physical properties of 1-(1-Trityl-1H-imidazol-4-yl)-ethanone are: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1073.52; (6)ACD/BCF (pH 7.4): 1074.51; (7)ACD/KOC (pH 5.5): 5139.69; (8)ACD/KOC (pH 7.4): 5144.43; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 111.16 cm³; (15)Molar Volume: 322 cm³; (16)Polarizability: 44.07×10^-24 cm³; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 260.6 °C; (20)Enthalpy of Vaporization: 77.73 kJ/mol; (21)Boiling Point: 507.2 °C at 760 mmHg; (22)Vapour Pressure: 2.07×10^-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ncn(c1)C(c2ccccc2)(c3ccccc3)c4ccccc4)C
(2)InChI: InChI=1/C24H20N2O/c1-19(27)23-17-26(18-25-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
(3)InChIKey: CXHBDLBUHRTUCX-UHFFFAOYAX