CAS No.82594-80-7,1-Triphenylmethyl-4-methylimidazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	82594-80-7
Name:	1-Triphenylmethyl-4-methylimidazole
Article Data:	20

Formula:	C₂₃H₂₀N₂
Molecular Weight:	324.425
Synonyms:	1-Trityl-4-methylimidazole;4-Methyl-1-trityl-1H-imidazole;4-Methyl-1-tritylimidazole;5-Methyl-3-triphenylmethyl-3H-imidazole;CDD 3531;
Density:	1.05g/cm³
Boiling Point:	466.5 °C at 760 mmHg
Flash Point:	236 °C
PSA:	17.82000
LogP:	5.03170

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Specification

The 1-Triphenylmethyl-4-methylimidazole, with CAS registry number 82594-80-7, has the systematic name of 4-methyl-1-trityl-1H-imidazole. Besides this, it is also called 4-Methyl-1-tritylimidazole. Its molecular weight is 324.42. And the chemical formula of this chemical is C₂₃H₂₀N₂.

Physical properties of 1-Triphenylmethyl-4-methylimidazole: (1)ACD/LogP: 5.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 5.2; (5)ACD/BCF (pH 5.5): 294.51; (6)ACD/BCF (pH 7.4): 4962.09; (7)ACD/KOC (pH 5.5): 851.77; (8)ACD/KOC (pH 7.4): 14351.38; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 105.7 cm³; (15)Molar Volume: 308.7 cm³; (16)Polarizability: 41.9×10^-24cm³; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.05 g/cm³; (19)Flash Point: 236 °C; (20)Enthalpy of Vaporization: 70.05 kJ/mol; (21)Boiling Point: 466.5 °C at 760 mmHg; (22)Vapour Pressure: 1.96E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cn(c1)C(c2ccccc2)(c3ccccc3)c4ccccc4)C
(2)InChI: InChI=1/C23H20N2/c1-19-17-25(18-24-19)23(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: GDROHFZOCLUMKN-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C23H20N2/c1-19-17-25(18-24-19)23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
(5)Std. InChIKey: GDROHFZOCLUMKN-UHFFFAOYSA-N