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74676-52-1

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Basic Information
CAS No.: 74676-52-1
Name: 1,5,9-TRIAZACYCLOTRIDECANE TRIHYDROBROMIDE
Molecular Structure:
Molecular Structure of 74676-52-1 (1,5,9-TRIAZACYCLOTRIDECANE TRIHYDROBROMIDE)
Formula: C10H26Br3N3
Molecular Weight: 428.049
Synonyms: 1,5,9-Triazacyclotridecane,trihydrobromide (9CI);
Melting Point: 284-285 °C (dec.)(lit.)
Boiling Point: 410.6 °C at 760 mmHg
Flash Point: 202.1 °C
Hazard Symbols: CorrosiveC
Risk Codes: 20/21/22-34
Safety: 23-26-27-36/37/39-45
PSA: 36.09000
LogP: 3.79980
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Specification

The 1,5,9-Triazacyclotridecane,hydrobromide (1:3), with the CAS registry number 74676-52-1, is also known as ZINC05225036. This chemical's molecular formula is C10H26Br3N3 and molecular weight is 414.02. Its IUPAC name is called 1,5,9-triazoniacyclotridecane. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides.

Physical properties of 1,5,9-Triazacyclotridecane,hydrobromide (1:3): (1)ACD/LogP: 0.74; (2)#H bond acceptors: 3; (3)#H bond donors: 3; (4)Flash Point: 202.1 °C; (5)Enthalpy of Vaporization: 68.36 kJ/mol; (6)Boiling Point: 410.6 °C at 760 mmHg; (7)Vapour Pressure: 2.97E-07 mmHg at 25°C.

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: C1CC[NH2+]CCC[NH2+]CCC[NH2+]C1
(2)InChI: InChI=1S/C10H23N3/c1-2-6-12-8-4-10-13-9-3-7-11-5-1/h11-13H,1-10H2/p+3
(3)InChIKey: UXABFDDIKPVEBR-UHFFFAOYSA-Q