Benzenamine,3-(3-pyridinyl)- (57976-57-5)

This chemical is called 3-Pyridin-3-ylaniline, and it can also be named as benzenamine, 3-(3-pyridinyl)-. With the molecular formula of C₁₁H₁₀N₂, its molecular weight is 170.21. The CAS registry number of this chemical is 57976-57-5, and its product categories are Amines and Anilines; Heterocycles.

Other characteristics of the 3-Pyridin-3-ylaniline can be summarised as followings: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.589; (4)ACD/LogD (pH 7.4): 1.661; (5)ACD/BCF (pH 5.5): 9.125; (6)ACD/BCF (pH 7.4): 10.776; (7)ACD/KOC (pH 5.5): 161.494; (8)ACD/KOC (pH 7.4): 190.708; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.91 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 53.172 cm³; (15)Molar Volume: 150.222 cm³; (16)Polarizability: 21.079×10^-24cm³; (17)Surface Tension: 50.579 dyne/cm; (18)Density: 1.133 g/cm³; (19)Flash Point: 204.357 °C; (20)Enthalpy of Vaporization: 61.521 kJ/mol; (21)Boiling Point: 368.54 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1cc(cc(c1)N)c2cccnc2
(2)InChI: InChI=1/C11H10N2/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h1-8H,12H2
(3)InChIKey: YTJQJGKMRLQBJP-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H10N2/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h1-8H,12H2
(5)Std. InChIKey: YTJQJGKMRLQBJP-UHFFFAOYSA-N