Benzenecarboximidamide,4,4'-[1,3-propanediylbis(oxy)]bis- (104-32-5)

The Propamidine, with the CAS registry number 104-32-5, is also known as 4,4'-(1,3-Propanediylbis(oxy))bisbenzenecarboximidamide. Its EINECS registry number is 203-195-2. This chemical's molecular formula is C₁₇H₂₀N₄O₂ and molecular weight is 312.37. What's more, its IUPAC name is 4-[3-(4-Carbamimidoylphenoxy)propoxy]benzenecarboximidamide and systematic name is called 4,4'-[Propane-1,3-diylbis(oxy)]dibenzenecarboximidamide. This chemical's classification codes are Anti-Infective Agents; Antiparasitic Agents and Antiprotozoal Agents.

Physical properties about Propamidine are: (1) ACD/LogP: 1.62; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): -1.38; (4) ACD/LogD (pH 7.4): -1.38; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 6; (10) #H bond donors: 6; (11) #Freely Rotating Bonds: 8; (12) Polar Surface Area: 49.66 Å²; (13) Index of Refraction: 1.608; (14) Molar Refractivity: 86.23 cm³; (15) Molar Volume: 249.3 cm³; (16) Surface Tension: 51.5 dyne/cm; (17) Density: 1.25 g/cm³; (18) Flash Point: 254.6 °C; (19) Enthalpy of Vaporization: 76.53 kJ/mol; (20) Boiling Point: 497.3 °C at 760 mmHg; (21) Vapour Pressure: 4.99E-10 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)C(=[N@H])N)CCCOc2ccc(C(=[N@H])N)cc2
(2) InChI: InChI=1/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)
(3) InChIKey: WTFXJFJYEJZMFO-UHFFFAOYAO