Propanedinitrile,2-[1-(4-aminophenyl)ethylidene]- (122520-80-3)

The 2-[1-(4-Aminophenyl)ethylidene]propanedinitrile with the CAS number 122520-80-3 is also called Propanedinitrile,2-[1-(4-aminophenyl)ethylidene]-. The systematic name is [1-(4-aminophenyl)ethylidene]propanedinitrile. Its molecular formula is C₁₁H₉N₃.

The properties of the chemical are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.18; (6)ACD/BCF (pH 7.4): 5.19; (7)ACD/KOC (pH 5.5): 112.79; (8)ACD/KOC (pH 7.4): 113.16; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.82 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 53.95 cm³; (15)Molar Volume: 155.6 cm³; (16)Polarizability: 21.38×10^-24cm³; (17)Surface Tension: 57.6 dyne/cm; (18)Enthalpy of Vaporization: 61.51 kJ/mol; (19)Vapour Pressure: 1.27×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C(C#N)=C(\c1ccc(N)cc1)C
(2)InChI: InChI=1/C11H9N3/c1-8(10(6-12)7-13)9-2-4-11(14)5-3-9/h2-5H,14H2,1H3
(3)InChIKey: UDNNQFHSLNHDGH-UHFFFAOYAV