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| CAS No.: | 191103-80-7 |
|---|---|
| Name: | 1-Trityl-1H-imidazole-4-carboxylic acid |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C23H18N2O2 |
| Molecular Weight: | 354.408 |
| Synonyms: | 1-Triphenylmethylimidazole-4-carboxylicacid;1-Trityl-1H-imidazole-4-carboxylic acid;1H-Imidazole-4-carboxylicacid, 1-(triphenylmethyl)-; |
| Density: | 1.165 g/cm3 |
| Boiling Point: | 546.287 °C at 760 mmHg |
| Flash Point: | 284.184 °C |
| PSA: | 55.12000 |
| LogP: | 4.42150 |
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- Total:21 Page 1 of 1 1
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Specification
The 1-Trityl-imidazole-3-carboxylic aicd, with the CAS registry number 191103-80-7, is also known as 1H-Imidazole-4-carboxylicacid, 1-(triphenylmethyl)-. It belongs to the product categories of Blocks; Carboxes; Imidazoles. This chemical's molecular formula is C23H18N2O2 and molecular weight is 354.4012. What's more, its systematic name is 1-Trityl-1H-imidazole-4-carboxylic acid.
Physical properties about 1-Trityl-imidazole-3-carboxylic aicd are: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 24; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 103; (8)ACD/KOC (pH 7.4): 10; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.12 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 107.598 cm3; (15)Molar Volume: 304.082 cm3; (16)Polarizability: 42.655×10-24 cm3; (17)Surface Tension: 48.701 dyne/cm; (18)Density: 1.165 g/cm3; (19)Flash Point: 284.184 °C; (20)Enthalpy of Vaporization: 86.857 kJ/mol; (21)Boiling Point: 546.287 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ncn(c1)C(c2ccccc2)(c3ccccc3)c4ccccc4
(2) InChI: InChI=1/C23H18N2O2/c26-22(27)21-16-25(17-24-21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,26,27)
(3) InChIKey: UQQHMXJCLHSYRV-UHFFFAOYAI