1,5,9-TRIAZACYCLOTRIDECANE TRIHYDROBROMIDE

The CAS register number of 1,5,9-Triazacyclododecane,hydrobromide (1:3) is 35980-62-2. The systematic name about this chemical is 1,5,9-triazacyclododecane trihydrobromide. The molecular formula about this chemical is C₉H₂₄Br₃N₃ and the molecular weight is 414.02.

Physical properties about 1,5,9-Triazacyclododecane,hydrobromide (1:3) are: (1)ACD/LogP: 0.31; (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)Flash Point: 192.7 °C; (9)Enthalpy of Vaporization: 66.53 kJ/mol; (10)Boiling Point: 395.1 °C at 760 mmHg; (11)Vapour Pressure: 9.78E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it can cause burns. If it stains your clothing, take off immediately all contaminated clothing. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. When you are using it, do not breathe vapour. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Br.Br.Br.N1CCCNCCCNCCC1
(2)InChI: InChI=1/C9H21N3.3BrH/c1-4-10-6-2-8-12-9-3-7-11-5-1;;;/h10-12H,1-9H2;3*1H
(3)InChIKey: CEBALCOACQUCTE-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H21N3.3BrH/c1-4-10-6-2-8-12-9-3-7-11-5-1;;;/h10-12H,1-9H2;3*1H
(5)Std. InChIKey: CEBALCOACQUCTE-UHFFFAOYSA-N