Cyclen

The Cyclen with cas registry number of 294-90-6 is also called 1,4,7,10-Tetraazacyclododecane which is also its systematic name and IUPAC name. Its EINECS registry number is 202-928-3. This chemical, with appearance of almost white to slightly yellow crystalline powder, belongs to the classes of Crown Ethers; Functional Materials; Macrocycles for Host-Guest Chemistry; Ring Systems.

Physical properties about this chemical are: (1)ACD/LogP: -2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.44; (4)ACD/LogD (pH 7.4): -6.43; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.96 Å²; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 50.28 cm³; (15)Molar Volume: 197 cm³; (16)Surface Tension: 27.6 dyne/cm; (17)Density: 0.874 g/cm³; (18)Flash Point: 129.5 °C ; (19)Enthalpy of Vaporization: 52.28 kJ/mol ; (20)Boiling Point: 283.8 °C at 760 mmHg ; (21)Vapour Pressure: 0.00309 mmHg at 25°C.

Uses of Cyclen: it can react with formaldehyde to give 1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane at pressure 760.0002 using reagent formic acid, solvent water, and other conditions like heating. The reaction time is about 30 hours. The yield is 55%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing when you are using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. This chemical should be stored in refrigerator.

You can still convert the following datas into molecular structure:
(1)SMILES: N1CCNCCNCCNCC1;
(2)InChI: InChI=1/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2;
(3)InChIKey: QBPPRVHXOZRESW-UHFFFAOYAQ

The toxicity data is as follows: