Product Description

Density: 1.321g /cm3

Boiling point: 701.6ºC at 760 mmHg

Melting point: 267ºC

Flash point: 378.1ºC

Refractive index: 1.531

The 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraaceticacid, with its CAS registry number 60239-18-1, has the IUPAC name of 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. Being a kind of colourless crystals, its product categories are including Azacrown Ethers; Functional Materials; Macrocycles for Host-Guest Chemistry.

The characteristics of this chemical are as below: (1)ACD/LogP: -1.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.52; (4)ACD/LogD (pH 7.4): -6.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8;  (12)Polar Surface Area: 118.16; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 94.72 cm³; (15)Molar Volume: 305.9 cm³; (16)Polarizability: 37.55×10^-24 cm³; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.321 g/cm³; (19)Flash Point: 378.1 °C; (20)Enthalpy of Vaporization: 111.87 kJ/mol; (21)Boiling Point: 701.6 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-21 mmHg at 25°C; (23)Exact Mass: 404.190714; (24)MonoIsotopic Mass: 404.190714; (25)Topological Polar Surface Area: 162; (26)Heavy Atom Count: 28; (27)Complexity: 447.

Use of this chemical: 

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraaceticacid could react with (3aS,4S,6aR)-N-(6-aminohexyl)hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentamine to produce 10-[2-[6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-1-yl]-1-pentylamino]-1-hexylamino]-2-oxoethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid. This reaction could happen in the presence of the reagent of N-hydroxysulfosuccinimide sodium salt, 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide and aq. NaOH, and the solvent of H₂O. And it needs the reaction time of 20 min-2 hours and the reaction temperature of 20 ℃. Besides, it requires the PH value of 5.5-7.5 with the yield of 45.6%.

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