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CAS No.: | 39240-08-9 |
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Name: | 3-(N,N-Diethyl)aminobenzanilide |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C17H20N2O |
Molecular Weight: | 268.359 |
Synonyms: | 3-Benzamido-N,N-diethylaniline;3-Benzoylamino-N,N-diethylaniline;3'-(Diethylamino)benzanilide;N-[3-(diethylamino)phenyl]benzamide;3-(N,N-Diethyl)aminobenzanilide; |
Density: | 1.121 g/cm3 |
Boiling Point: | 348.5 °C at 760 mmHg |
Flash Point: | 164.6 °C |
PSA: | 32.34000 |
LogP: | 3.85810 |
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The Benzamide,N-[3-(diethylamino)phenyl]-, with the CAS registry number 39240-08-9, has the systematic name of N-[3-(diethylamino)phenyl]benzamide. It belongs to the product category of Intermediates of Dyes and Pigments. And the molecular formula of the chemical is C17H20N2O.
The characteristics of Benzamide,N-[3-(diethylamino)phenyl]- are as followings: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 4.05; (5)ACD/BCF (pH 5.5): 51.33; (6)ACD/BCF (pH 7.4): 679.93; (7)ACD/KOC (pH 5.5): 265.99; (8)ACD/KOC (pH 7.4): 3523.62; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 32.34 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 84.4 cm3; (15)Molar Volume: 239.3 cm3; (16)Polarizability: 33.46×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.121 g/cm3; (19)Flash Point: 164.6 °C; (20)Enthalpy of Vaporization: 59.29 kJ/mol; (21)Boiling Point: 348.5 °C at 760 mmHg; (22)Vapour Pressure: 5E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCN(CC)c1cccc(c1)NC(=O)c2ccccc2
(2)InChI: InChI=1/C17H20N2O/c1-3-19(4-2)16-12-8-11-15(13-16)18-17(20)14-9-6-5-7-10-14/h5-13H,3-4H2,1-2H3,(H,18,20)
(3)InChIKey: OMFRCMQOCKKUOR-UHFFFAOYAI