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1-Trityl-1H-imidazole-4-carboxylic acid

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Name

1-Trityl-1H-imidazole-4-carboxylic acid

EINECS N/A
CAS No. 191103-80-7 Density 1.165 g/cm3
PSA 55.12000 LogP 4.42150
Solubility N/A Melting Point N/A
Formula C23H18N2O2 Boiling Point 546.287 °C at 760 mmHg
Molecular Weight 354.408 Flash Point 284.184 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 191103-80-7 (1-Trityl-1H-imidazole-4-carboxylic acid) Hazard Symbols N/A
Synonyms

1-Triphenylmethylimidazole-4-carboxylicacid;1-Trityl-1H-imidazole-4-carboxylic acid;1H-Imidazole-4-carboxylicacid, 1-(triphenylmethyl)-;

Article Data 12

1-Trityl-1H-imidazole-4-carboxylic acid 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

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