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CAS No.: | 82523-92-0 |
---|---|
Name: | 2-benzoyl-N-ethylbenzamide |
Molecular Structure: | |
Formula: | C16H15NO2 |
Molecular Weight: | 253.30 |
Synonyms: | NSC 122873; |
Density: | 1.128 g/cm3 |
Boiling Point: | 461.8 °C at 760 mmHg |
Flash Point: | 181 °C |
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The Benzamide,2-benzoyl-N-ethyl- has CAS registry number 82523-92-0. This chemical's molecular formula is C16H15NO2 and molecular weight is 253.30. What's more, its systematic name is 2-Benzoyl-N-ethylbenzamide.
Physical properties of Benzamide,2-benzoyl-N-ethyl- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 58.01; (6)ACD/BCF (pH 7.4): 58.01; (7)ACD/KOC (pH 5.5): 636.72; (8)ACD/KOC (pH 7.4): 636.72; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 74.3 cm3; (15)Molar Volume: 224.4 cm3; (16)Polarizability: 29.45×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.128 g/cm3; (19)Flash Point: 181 °C; (20)nthalpy of Vaporization: 72.28 kJ/mol; (21)Boiling Point: 461.8 °C at 760 mmHg; (22)Vapour Pressure: 1.04E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCC)c2ccccc2C(=O)c1ccccc1
(2)Std. InChI: InChI=1S/C16H15NO2/c1-2-17-16(19)14-11-7-6-10-13(14)15(18)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,17,19)
(3)Std. InChIKey: XFCNIRLJJYYGDW-UHFFFAOYSA-N