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CAS No.: | 49647-11-2 |
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Name: | 1-[6-(TRITYL-AMINO)-PYRIDIN-3-YL]-ETHANONE |
Molecular Structure: | |
Formula: | C26H22N2O |
Molecular Weight: | 378.473 |
Synonyms: | 1-[6-(Tritylamino)-3-pyridyl]ethanone; |
Density: | 1.177 g/cm3 |
Boiling Point: | 543 °C at 760 mmHg |
Flash Point: | 282.2 °C |
PSA: | 41.99000 |
LogP: | 5.76120 |
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The Ethanone,1-[6-[(triphenylmethyl)amino]-3-pyridinyl]-, with the CAS registry number 49647-11-2, is also known as 1-[6-(Tritylamino)-3-pyridyl]ethanone. This chemical's molecular formula is C26H22N2O and molecular weight is 378.4657. What's more, its IUPAC name is 1-[6-(Tritylamino)pyridin-3-yl]ethanone .
Physical properties about Ethanone,1-[6-[(triphenylmethyl)amino]-3-pyridinyl]- are: (1)ACD/LogP: 5.89; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.88; (4)ACD/LogD (pH 7.4): 5.89; (5)#H bond acceptors: 3; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 41.99 Å2; (8)Index of Refraction: 1.647; (9)Molar Refractivity: 116.83 cm3; (10)Molar Volume: 321.3 cm3; (11)Polarizability: 46.31×10-24 cm3; (12)Surface Tension: 50.7 dyne/cm; (13)Density: 1.177 g/cm3; (14)Flash Point: 282.2 °C; (15)Enthalpy of Vaporization: 82.13 kJ/mol; (16)Boiling Point: 543 °C at 760 mmHg; (17)Vapour Pressure: 7.47E-12 mmHg at 25 °C; (18)#H bond donors: 1.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c4cnc(NC(c1ccccc1)(c2ccccc2)c3ccccc3)cc4
(2) InChI: InChI=1/C26H22N2O/c1-20(29)21-17-18-25(27-19-21)28-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-19H,1H3,(H,27,28)
(3) InChIKey: HSUMLJTXYCMQJM-UHFFFAOYAN