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Basic Information
CAS No.: 256660-16-9
Name: (2-Ethyl-6-methylphenyl)diphenylamine
Molecular Structure:
Molecular Structure of 256660-16-9 ((2-Ethyl-6-methylphenyl)diphenylamine)
Formula: C21H21N
Molecular Weight: 287.404
Synonyms: (2-Ethyl-6-methylphenyl)diphenylamine;
Density: 1.065 g/cm3
Boiling Point: 406 °C at 760 mmHg
Flash Point: 177.9 °C
PSA: 3.24000
LogP: 6.02720
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Specification

The (2-Ethyl-6-methylphenyl)diphenylamine with the CAS number 256660-16-9 is also called Benzenamine,2-ethyl-6-methyl-N,N-diphenyl-. The systematic name is 2-ethyl-6-methyl-N,N-diphenyl-aniline. Its molecular formula is C21H21N. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 7.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.19; (4)ACD/LogD (pH 7.4): 7.19; (5)ACD/BCF (pH 5.5): 172004.92; (6)ACD/BCF (pH 7.4): 172004.92; (7)ACD/KOC (pH 5.5): 194615.06; (8)ACD/KOC (pH 7.4): 194615.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 94.47 cm3; (14)Molar Volume: 269.6 cm3; (15)Polarizability: 37.45×10-24cm3; (16)Surface Tension: 43.4 dyne/cm; (17)Enthalpy of Vaporization: 65.77 kJ/mol; (18)Vapour Pressure: 8.41×10-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1cccc(c1N(c2ccccc2)c3ccccc3)C
(2)InChI: InChI=1/C21H21N/c1-3-18-12-10-11-17(2)21(18)22(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-16H,3H2,1-2H3
(3)InChIKey: NVJKMGLHFWGGOG-UHFFFAOYAH