N-(4-Aminocyclohexyl)-1,4-cyclohexanediamine (5123-26-2)

The N-(4-Aminocyclohexyl)-1,4-cyclohexanediamine, with the cas registry number 5123-26-2, has the systematic name of N-(4-aminocyclohexyl)cyclohexane-1,4-diamine. And the molecular fomula of the chemical is C₁₂H₂₅N₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 9.72 Å²; (7)Index of Refraction: 1.533; (8)Molar Refractivity: 64.33 cm³; (9)Molar Volume: 207 cm³; (10)Polarizability: 25.5×10^-24cm³; (11)Surface Tension: 43.3 dyne/cm; (12)Density: 1.02 g/cm³; (13)Flash Point: 160.8 °C; (14)Enthalpy of Vaporization: 54.49 kJ/mol; (15)Boiling Point: 304.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000869 mmHg at 25°C.
 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N(C1CCC(N)CC1)C2CCC(N)CC2
(2)InChI: InChI=1/C12H25N3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h9-12,15H,1-8,13-14H2
(3)InChIKey: VBPWZDGHWDCOII-UHFFFAOYAG