3-Pyridinecarbonitrile,2-(methylamino)- (52583-87-6)

The 2-(Methylamino)nicotinonitrile, with the CAS registry number 52583-87-6, has the systematic name of 2-(methylamino)pyridine-3-carbonitrile. The molecular formula of the chemical is  C₇H₇N₃. And it is a kind of irritant chemical, so you'd better be cautious while dealing with it.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 104; (8)ACD/KOC (pH 7.4): 105; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 48.71 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 37.394 cm³; (15)Molar Volume: 116.901 cm³; (16)Polarizability: 14.824×10^-24cm³; (17)Surface Tension: 52.791 dyne/cm; (18)Density: 1.139 g/cm³; (19)Flash Point: 127.613 °C; (20)Enthalpy of Vaporization: 52.657 kJ/mol; (21)Boiling Point: 287.397 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CNc1ncccc1C#N
(2)InChI: InChI=1/C7H7N3/c1-9-7-6(5-8)3-2-4-10-7/h2-4H,1H3,(H,9,10)
(3)InChIKey: AGZQPTBBDDQFKJ-UHFFFAOYAW