2,4,11,13-Tetraazatetradecanediimidamide,N,N''-bis(2-ethylhexyl)-3,12-diimino- (22573-93-9)

The Alexidine dihydrochloride, with the CAS registry number 22573-93-9, has the systematic name of N'',N''''''-hexane-1,6-diylbis[N'''-(2-ethylhexyl)(imidodicarbonimidic diamide)]. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₂₆H₅₆N₁₀.

The characteristics of Alexidine dihydrochloride are as followings: (1)ACD/LogP: 6.52; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 52.45; (6)ACD/BCF (pH 7.4): 52.8; (7)ACD/KOC (pH 5.5): 82.98; (8)ACD/KOC (pH 7.4): 83.55; (9)#H bond acceptors: 10; (10)#H bond donors: 10; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 68.88 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 147.62 cm³; (15)Molar Volume: 462.5 cm³; (16)Polarizability: 58.52×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 351.8 °C; (20)Enthalpy of Vaporization: 96.89 kJ/mol; (21)Boiling Point: 658.2 °C at 760 mmHg; (22)Vapour Pressure: 3.38E-17 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N(=C(\N)NC(=N/CCCCCC/N=C(/N/C(=N/CC(CCCC)CC)N)N)/N)\CC(CC)CCCC
(2)InChI: InChI=1/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36)
(3)InChIKey: LFVVNPBBFUSSHL-UHFFFAOYAY