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CAS No.: | 36713-33-4 |
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Name: | 2-(dimethylamino)-1,2-diphenylethanone |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C16H17NO |
Molecular Weight: | 239.317 |
Synonyms: | Acetophenone,2-(dimethylamino)-2-phenyl- (6CI,7CI);NSC 75404;a-Dimethylaminodeoxybenzoin;2-(Dimethylamino)-1,2-diphenylethanone;2-(Dimethylamino)-2-phenylacetophenone; |
Density: | 1.074 g/cm3 |
Boiling Point: | 346.6 °C at 760 mmHg |
Flash Point: | 122.2 °C |
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The Ethanone,2-(dimethylamino)-1,2-diphenyl-, with the CAS registry number 36713-33-4, is also known as 2-(Dimethylamino)-2-phenylacetophenone. This chemical's molecular formula is C16H17NO and molecular weight is 239.31. What's more, its systematic name is 2-(dimethylamino)-1,2-diphenylethanone.
Physical properties of Ethanone,2-(dimethylamino)-1,2-diphenyl- are: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 27.08; (6)ACD/BCF (pH 7.4): 205.33; (7)ACD/KOC (pH 5.5): 202.42; (8)ACD/KOC (pH 7.4): 1534.56; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 73.75 cm3; (15)Molar Volume: 222.6 cm3; (16)Polarizability: 29.24×10-24cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.074 g/cm3; (19)Flash Point: 122.2 °C; (20)Enthalpy of Vaporization: 59.08 kJ/mol; (21)Boiling Point: 346.6 °C at 760 mmHg; (22)Vapour Pressure: 5.7E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)C(N(C)C)c2ccccc2
(2)InChI: InChI=1S/C16H17NO/c1-17(2)15(13-9-5-3-6-10-13)16(18)14-11-7-4-8-12-14/h3-12,15H,1-2H3
(3)InChIKey: FFXYYGZTOUQTBO-UHFFFAOYSA-N