5,8,11-Trioxa-2-azatridecanoicacid, 13-hydroxy-, 1,1-dimethylethyl ester (106984-09-2)

The N-Boc-aminoehtoxy-ethoxy-ethoxy-ethanol is an organic compound with the formula C₁₃H₂₇NO₆. The systematic name of this chemical is tert-butyl (2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl)carbamate. With the CAS registry number 106984-09-2, it is also named as 1-Boc-amino-3,6,9-trioxaundecanyl-11-ol. The product's categories are all aliphatics; aliphatics; amines. It is yellow oil which is soluble in chloroform, dimethylformamide, dimethyl sulfoxide and ethyl acetate.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16; (8)ACD/KOC (pH 7.4): 16; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 14; (12)Index of Refraction: 1.459; (13)Molar Refractivity: 74.382 cm³; (14)Molar Volume: 272.063 cm³; (15)Polarizability: 29.487×10^-24 cm³; (16)Surface Tension: 37.415 dyne/cm; (17)Density: 1.078 g/cm³; (18)Flash Point: 204.201 °C; (19)Enthalpy of Vaporization: 77.048 kJ/mol; (20)Boiling Point: 414.035 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)NCCOCCOCCOCCO
2. InChI:InChI=1/C13H27NO6/c1-13(2,3)20-12(16)14-4-6-17-8-10-19-11-9-18-7-5-15/h15H,4-11H2,1-3H3,(H,14,16)