trans-1,2-Cyclohexanediaminetetraacetic acid is a widely used aminopolycarboxylic acid and a strong heavy metal ion chelator.

Physicochemical Properties

Molecular Formula	C14H22N2O8
Molecular Weight	346.33
Exact Mass	346.137
CAS #	13291-61-7
PubChem CID	2723845
Appearance	Typically exists as solid at room temperature
Density	1.5±0.1 g/cm3
Boiling Point	670.8±55.0 °C at 760 mmHg
Melting Point	213-216 °C(lit.)
Flash Point	359.5±31.5 °C
Vapour Pressure	0.0±4.4 mmHg at 25°C
Index of Refraction	1.596
LogP	0.07
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Heavy Atom Count	24
Complexity	419
Defined Atom Stereocenter Count	2
SMILES	O([H])C(C([H])([H])N(C([H])([H])C(=O)O[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)O[H])=O
InChi Key	FCKYPQBAHLOOJQ-NXEZZACHSA-N
InChi Code	InChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-/m1/s1
Chemical Name	2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Wen Chen, et al. Uranium(VI) complexation withtrans-1,2-cyclohexanediaminetetraacetic acid in solution: thermodynamic and structural studies,Journal of Coordination Chemistry. [2]. Zhang T, et al. Chelant extraction of heavy metals from contaminated soils using new selective EDTA derivatives. J Hazard Mater. 2013;262:464-471.

Solubility Data

Solubility (In Vitro)

H2O: 5 mg/mL (14.44 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.67 mg/mL (4.82 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 16.7 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.8874 mL	14.4371 mL	28.8742 mL
	5 mM	0.5775 mL	2.8874 mL	5.7748 mL
	10 mM	0.2887 mL	1.4437 mL	2.8874 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.