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Basic Information
CAS No.: 54079-53-7
Name: [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile
Molecular Structure:
Molecular Structure of 54079-53-7 ([[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile)
Formula: C27H31N3O
Molecular Weight: 413.563
Synonyms: Propanedinitrile,[[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]- (9CI);[[4-[[2-(4-Cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile;(4-{[2-(4-Cyclohexylphenoxy)ethyl](ethyl)amino}-2-methylbenzylidene)propanedinitrile;4-[N-[2-(4-Cyclohexylphenoxy)ethyl]ethylamino]-1-(2,2-dicyanovinyl)-2-methylbenzene;Disperse Yellow 201;Macrolex Yellow 6G Gran;
EINECS: 258-964-5
Density: 1.116 g/cm3
Boiling Point: 611.8 °C at 760 mmHg
Flash Point: 323.8 °C
Solubility: 700ng/L at 20℃
PSA: 60.05000
LogP: 6.37856
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Specification

The Propanedinitrile,2-[[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-, with the CAS registry number 54079-53-7, is also known as [[4-[[2-(4-Cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile. Its EINECS number is 258-964-5. It belongs to the product category of Organics. This chemical's molecular formula is C27H31N3O and molecular weight is 413.55. What's more, its systematic name is (4-{[2-(4-Cyclohexylphenoxy)ethyl](ethyl)amino}-2-methylbenzylidene)propanedinitrile.

Physical properties of Propanedinitrile,2-[[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]- are: (1)ACD/LogP: 7.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.71; (4)ACD/LogD (pH 7.4): 7.71; (5)ACD/BCF (pH 5.5): 427765.78; (6)ACD/BCF (pH 7.4): 427894.5; (7)ACD/KOC (pH 5.5): 373552.75; (8)ACD/KOC (pH 7.4): 373665.16; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 60.05 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 126.96 cm3; (15)Molar Volume: 370.3 cm3; (16)Polarizability: 50.33×10-24 cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.116 g/cm3; (19)Flash Point: 323.8 °C; (20)Enthalpy of Vaporization: 90.83 kJ/mol; (21)Boiling Point: 611.8 °C at 760 mmHg; (22)Vapour Pressure: 6.62E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C(C#N)=C\c1c(cc(cc1)N(CC)CCOc2ccc(cc2)C3CCCCC3)C
(2)InChI: InChI=1S/C27H31N3O/c1-3-30(26-12-9-25(21(2)17-26)18-22(19-28)20-29)15-16-31-27-13-10-24(11-14-27)23-7-5-4-6-8-23/h9-14,17-18,23H,3-8,15-16H2,1-2H3
(3)InChIKey: NQAJBKZEQYYFGK-UHFFFAOYSA-N