2,2'-(HEXYLIMINO)DIETHANOL

The Ethanol,2,2'-(hexylimino)bis-, with the CAS registry number of 6752-33-6, is also known as n-Hexyl-2,2'-iminodiethanol. This chemical's molecular formula is C₁₀H₂₃NO₂ and molecular weight is 189.3. What's more, its IUPAC name is 2-[Hexyl(2-hydroxyethyl)amino]ethanol. This chemical's classification codes are TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA].

Physical properties about the Ethanol,2,2'-(hexylimino)bis- are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.95; (4)ACD/LogD (pH 7.4): 0.52; (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): 10.39; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 55.16 cm³; (15)Molar Volume: 195.8 cm³; (16)Surface Tension: 38.8 dyne/cm; (17)Density: 0.966 g/cm³; (18)Flash Point: 140.2 °C; (19)Enthalpy of Vaporization: 64.02 kJ/mol; (20)Boiling Point: 311.3 °C at 760 mmHg; (21)Vapour Pressure: 5.06E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 2,2'-Azanediyl-bis-ethanol with 1-Bromo-hexane. The reaction needs reagent Ethanol. The yield is about 80 %.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCN(CCCCCC)CCO
(2) InChI: InChI=1/C10H23NO2/c1-2-3-4-5-6-11(7-9-12)8-10-13/h12-13H,2-10H2,1H3
(3) InChIKey: GIACMWUKBLHAAG-UHFFFAOYAI