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62256-50-2

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Basic Information
CAS No.: 62256-50-2
Name: 1-(1-Trityl-1H-imidazol-4-yl)-ethanol
Article Data: 5
Molecular Structure:
Molecular Structure of 62256-50-2 (1-(1-Trityl-1H-imidazol-4-yl)-ethanol)
Formula: C24H22N2O
Molecular Weight: 354.451
Synonyms: LogP
Density: 1.101 g/cm3
Boiling Point: 516.269 °C at 760 mmHg
Flash Point: 266.03 °C
PSA: 38.05000
LogP: 4.77660
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Specification

The 1-(1-Trityl-1H-imidazol-4-yl)-ethanol has CAS registry number 62256-50-2. This chemical's molecular formula is C24H22N2O and molecular weight is 354.4443. What's more, its systematic name is 1-(1-Trityl-1H-imidazol-4-yl)-ethanol.

Physical properties about 1-(1-Trityl-1H-imidazol-4-yl)-ethanol are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 141; (6)ACD/BCF (pH 7.4): 626; (7)ACD/KOC (pH 5.5): 780; (8)ACD/KOC (pH 7.4): 3450; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.05 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 111.169 cm3; (15)Molar Volume: 322.019 cm3; (16)Polarizability: 44.071×10-24 cm3; (17)Surface Tension: 43.864 dyne/cm; (18)Density: 1.101 g/cm3; (19)Flash Point: 266.03 °C; (20)Enthalpy of Vaporization: 82.996 kJ/mol; (21)Boiling Point: 516.269 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(O)c1cn(cn1)C(c2ccccc2)(c3ccccc3)c4ccccc4
(2) InChI: InChI=1/C24H22N2O/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/h2-19,27H,1H3
(3) InChIKey: AMCBMIZVYBLKQA-UHFFFAOYAQ