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1,4,7,10-Tetraazacyclotridecane

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Name

1,4,7,10-Tetraazacyclotridecane

EINECS N/A
CAS No. 295-14-7 Density 0.868 g/cm3
PSA 48.12000 LogP 0.06370
Solubility Soluble in water. Melting Point 143 °C
Formula C9H22N4 Boiling Point 300.528 °C at 760 mmHg
Molecular Weight 186.3 Flash Point 139.736 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 295-14-7 (1,4,7,10-Tetraazacyclotridecane) Hazard Symbols N/A
Synonyms

1,4,7,10-TETRAAZACYCLOTRIDECANE;1,4,7,10-Tetraazacyclotridecane, min. 98%;1,4,7,10-Tetraazacyclotridecane,Min.98%

 

1,4,7,10-Tetraazacyclotridecane 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 %.

1,4,7,10-Tetraazacyclotridecane is used to produce 1,4,7,10-Tetramethyl-1,4,7,10-tetraaza-cyclotridecane

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

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