1,4,8,12-Tetraazacyclopentadecane

The Tetraazamacrocycle is an organic compound with the formula C₁₁H₂₆N₄. The systematic name of this chemical is 1,4,8,12-Tetraazacyclopentadecane. With the CAS registry number 15439-16-4, it is also named as Cyclal. The product's categories are Azacrown Ethers; Crown Ethers; Functional Materials; Macrocycles for Host-Guest Chemistry; Amine Monomers; Crown EthersMonomers; Secondary Amines; Chelation/Complexation Compounds; Synthetic Reagents. Besides, it is white to light yellow needle-like cryst. powder, which should be stored in a sealed, dry place.

Physical properties about Tetraazamacrocycle are: (1)ACD/LogP: -0.28; (2)ACD/LogD (pH 5.5): -5.37; (3)ACD/LogD (pH 7.4): -4.6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)Polar Surface Area: 12.96 Å²; (11)Index of Refraction: 1.426; (12)Molar Refractivity: 64.12 cm³; (13)Molar Volume: 250.2 cm³; (14)Polarizability: 25.41×10^-24 cm³; (15)Surface Tension: 27.2 dyne/cm; (16)Density: 0.856 g/cm³; (17)Flash Point: 163.7 °C; (18)Enthalpy of Vaporization: 58.16 kJ/mol; (19)Boiling Point: 338.2 °C at 760 mmHg; (20)Vapour Pressure: 9.95E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1,4,8,12-Tetrakis-(toluene-4-sulfonyl)-1,4,8,12-tetraaza-cyclopentadecane. This reaction will need reagent H₂SO₄. The reaction time is 50-70 hours with reaction temperature of 100 - 105 °C. The yield is about 70%.

Uses of Tetraazamacrocycle: it can be used to produce 1,4,8,12-Tetrakis-(2-pyridylmethyl)-1,4,8,12-tetraazacyclopentadecane. The yield is about 45%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H26N4/c1-4-12-6-2-8-14-10-11-15-9-3-7-13-5-1/h12-15H,1-11H2
(2)InChIKey: KUFDRRWNPNXBRF-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C11H26N4/c1-4-12-6-2-8-14-10-11-15-9-3-7-13-5-1/h12-15H,1-11H2
(4)Std. InChIKey: KUFDRRWNPNXBRF-UHFFFAOYSA-N