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| CAS No.: | 295-14-7 |
|---|---|
| Name: | 1,4,7,10-Tetraazacyclotridecane |
| Molecular Structure: | |
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| Formula: | C9H22N4 |
| Molecular Weight: | 186.3 |
| Synonyms: | 1,4,7,10-TETRAAZACYCLOTRIDECANE;1,4,7,10-Tetraazacyclotridecane, min. 98%;1,4,7,10-Tetraazacyclotridecane,Min.98% |
| Density: | 0.868 g/cm3 |
| Melting Point: | 143 °C |
| Boiling Point: | 300.528 °C at 760 mmHg |
| Flash Point: | 139.736 °C |
| Solubility: | Soluble in water. |
| PSA: | 48.12000 |
| LogP: | 0.06370 |
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Specification
This product is an organic compound with the formula C9H22N4. The name of this chemical is 1,4,7,10-Tetraazacyclotridecane. Its CAS registry number is 295-14-7. In addition, the molecular weight is 186.2978.
Physical properties about this chemical are: (1)ACD/LogP: -2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 48.12 Å2; (11)Index of Refraction: 1.425; (12)Molar Refractivity: 54.898 cm3; (13)Molar Volume: 214.754 cm3; (14)Polarizability: 21.763×10-24 cm3; (15)Surface Tension: 27.468 dyne/cm; (16)Density: 0.868 g/cm3; (17)Flash Point: 139.736 °C; (18)Enthalpy of Vaporization: 54.06 kJ/mol; (19)Boiling Point: 300.528 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.
Use of 1,4,7,10-Tetraazacyclotridecane: it is used to produce other chemicals. For example, it is used to produce 1,4,7,10-Tetramethyl-1,4,7,10-tetraaza-cyclotridecane. The reaction occurs with reagent 98-100% Formic acid. This reaction will occur at temperature of 90 °C for 24 hours. The yield is 70 %.
You can still convert the following datas into molecular structure:
(1) SMILES: N1CCCNCCNCCNCC1
(2) InChI: InChI=1/C9H22N4/c1-2-10-4-6-12-8-9-13-7-5-11-3-1/h10-13H,1-9H2
(3) InChIKey: LADZJJOUGVGJHM-UHFFFAOYAJ