1,4,8,11-Tetraazacyclotetradecane-5,7-dione

The 1,4,8,11-Tetraazacyclotetradecane-5,7-dione, with the CAS registry number 63972-19-0, is also known as 4,7,11,14-Tetraazacyclotetradecane-1,3-dione. This chemical's molecular formula is C₁₀H₂₀N₄O₂ and molecular weight is 228.29. Its IUPAC name is called 1,4,8,11-tetrazacyclotetradecane-5,7-dione. The product should be sealed and stored in cool and dry place.

Physical properties of 1,4,8,11-Tetraazacyclotetradecane-5,7-dione: (1)ACD/LogP: -3.01; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 4; (8)Index of Refraction: 1.442; (9)Molar Refractivity: 59.77 cm³; (10)Molar Volume: 225.4 cm³; (11)Surface Tension: 29.2 dyne/cm; (12)Density: 1.012 g/cm³; (13)Flash Point: 234.8 °C; (14)Enthalpy of Vaporization: 83.26 kJ/mol; (15)Boiling Point: 552.1 °C at 760 mmHg; (16)Vapour Pressure: 3.09E-12 mmHg at 25°C.

Uses of 1,4,8,11-Tetraazacyclotetradecane-5,7-dione: it can be used to produce 1,11-bis-(toluene-4-sulfonyl)-1,4,8,11-tetraaza-cyclotetradecane-5,7-dione at temperature of 45 °C. This reaction will need reagent triethylamine and solvent CH₂Cl₂ with reaction time of 18 hours. The yield is about 79%.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCCNC(=O)CC(=O)NCCNC1
(2)InChI: InChI=1S/C10H20N4O2/c15-9-8-10(16)14-7-5-12-3-1-2-11-4-6-13-9/h11-12H,1-8H2,(H,13,15)(H,14,16)
(3)InChIKey: BGVLBVASHIQNIO-UHFFFAOYSA-N