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122520-80-3

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Basic Information
CAS No.: 122520-80-3
Name: 2-[1-(4-Aminophenyl)ethylidene]propanedinitrile
Article Data: 12
Molecular Structure:
Molecular Structure of 122520-80-3 (2-[1-(4-Aminophenyl)ethylidene]propanedinitrile)
Formula: C11H9N3
Molecular Weight: 183.213
Synonyms: Propanedinitrile,[1-(4-aminophenyl)ethylidene]- (9CI);2-[1-(4-Aminophenyl)ethylidene]propanedinitrile;
Density: 1.177 g/cm3
Melting Point: 190 °C
Boiling Point: 368.4 °C at 760 mmHg
Flash Point: 176.6 °C
PSA: 73.60000
LogP: 2.67066
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    Propanedinitrile,2-[1-(4-aminophenyl)ethylidene]-

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

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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  • 2-[1-(4-Aminophenyl)ethylidene]propanedinitrile

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Specification

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