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CAS No.: | 4439-05-8 |
---|---|
Name: | Basic fuchsin leuconitrile |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C20H18N4 |
Molecular Weight: | 314.39 |
Synonyms: | BASIC FUCHSIN LEUCONITRILE;TRIS-(4-AMINOPHENYL)-ACETONITRILE;Pararosaniline leuconitrile |
Density: | 1.259 g/cm3 |
Boiling Point: | 566.8 °C at 760 mmHg |
Flash Point: | 296.6 °C |
PSA: | 101.85000 |
LogP: | 5.03478 |
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The Basic fuchsin leuconitrile is an organic compound with the formula C20H18N4. The IUPAC name of this chemical is 2,2,2-tris(4-aminophenyl)acetonitrile. With the CAS registry number 4439-05-8, it is also named as Pararosaniline cyanide.
Physical properties about Basic fuchsin leuconitrile are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 4; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 33.51 Å2; (7)Index of Refraction: 1.703; (8)Molar Refractivity: 96.79 cm3; (9)Molar Volume: 249.5 cm3; (10)Polarizability: 38.37×10-24cm3; (11)Surface Tension: 65.5 dyne/cm; (12)Density: 1.259 g/cm3; (13)Flash Point: 296.6 °C; (14)Enthalpy of Vaporization: 85.1 kJ/mol; (15)Boiling Point: 566.8 °C at 760 mmHg; (16)Vapour Pressure: 7.26E-13 mmHg at 25°C.
Preparation of Basic fuchsin leuconitrile: this chemical can be prepared by 4,4'-(4-iminocyclohexa-2,5-dienylidenemethylene)dianiline hydrochloride and hydrocyanic acid; potassium salt. This reaction will need reagent HCl and solvent H2O. The yield is about 95%.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(c1ccc(N)cc1)(c2ccc(N)cc2)c3ccc(N)cc3
(2)InChI: InChI=1/C20H18N4/c21-13-20(14-1-7-17(22)8-2-14,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,22-24H2
(3)InChIKey: CREJIZMWIBUNAF-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C20H18N4/c21-13-20(14-1-7-17(22)8-2-14,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,22-24H2
(5)Std. InChIKey: CREJIZMWIBUNAF-UHFFFAOYSA-N