3-P-TOLYLAMINO-PROPIONITRILE

This chemical is called Propanenitrile,3-[(4-methylphenyl)amino]-, and its systematic name is 3-[(4-Methylphenyl)amino]propanenitrile. With the molecular formula of C₁₀H₁₂N₂, its molecular weight is 160.22. The CAS registry number of the chemical is 1077-24-3. 

Other characteristics of Propanenitrile,3-[(4-methylphenyl)amino]- can be summarised as followings: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.36; (6)ACD/BCF (pH 7.4): 6.72; (7)ACD/KOC (pH 5.5): 128.87; (8)ACD/KOC (pH 7.4): 136.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.03 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 49.86 cm³; (15)Molar Volume: 151.5 cm³; (16)Polarizability: 19.76×10^-24cm³; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.057 g/cm³; (19)Flash Point: 156.6 °C; (20)Enthalpy of Vaporization: 57.83 kJ/mol; (21)Boiling Point: 335.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000121 mmHg at 25°C.

Production method of this chemical: The Propanenitrile,3-[(4-methylphenyl)amino]- could be obtained by the reactant of 4-Methyl-aniline and Acrylonitrile. This reaction needs the solvent of Acetic acid. The yield is 50 %. In addition, this reaction should be taken for 15 hours at heated condition.



Uses of this chemical: The Propanenitrile,3-[(4-methylphenyl)amino]- could react with 2-Bromo-1-phenyl-ethanone to obtain the 3-[(2-Oxo-2-phenyl-ethyl)-p-tolyl-amino]-propionitrile. This reaction needs the solvent of Ethanol. The yield is 76 %. In addition, this reaction should be taken for 4 hours at heated condition.
 


You can still convert the following datas into molecular structure:
1.SMILES: N#CCCNc1ccc(cc1)C
2.InChI: InChI=1/C10H12N2/c1-9-3-5-10(6-4-9)12-8-2-7-11/h3-6,12H,2,8H2,1H3
3.InChIKey: MKXMURBQSSTNIT-UHFFFAOYAN
4.Std. InChI: InChI=1S/C10H12N2/c1-9-3-5-10(6-4-9)12-8-2-7-11/h3-6,12H,2,8H2,1H3
5.Std. InChIKey: MKXMURBQSSTNIT-UHFFFAOYSA-N