The 1,4,7-Triazacyclononane with the CAS number 4730-54-5 is also called 1H-1,4,7-Triazonine,octahydro-. Both the systematic name and IUPAC name are 1,4,7-triazonane. Its molecular formula is C₆H₁₅N₃. This chemical should be stored at 2-8°C.

The properties of the 1,4,7-Triazacyclononane are: (1)# of Rule of 5 Violations: 0; (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: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 36.09 Å²; (10)Index of Refraction: 1.424; (11)Molar Refractivity: 37.715 cm³; (12)Molar Volume: 147.768 cm³; (13)Polarizability: 14.951×10^-24cm³; (14)Surface Tension: 27.603 dyne/cm; (15)Enthalpy of Vaporization: 49.151 kJ/mol; (16)Vapour Pressure: 0.018 mmHg at 25°C.

Uses: This chemical can react with bromomethyl-benzene to prepare 1,4,7-tribenzyl-1,4,7-triazacyclononane. This reaction needs reagent NEt₃, NaI and solvent ethanol at heating condition. The yield is 75%.

While using this chemical, you should be very cautious. This chemical can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: C1CNCCNCCN1
(2)InChI: InChI=1/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H2
(3)InChIKey: ITWBWJFEJCHKSN-UHFFFAOYAS